2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-imine;3-(1H-benzimidazol-2-yl)-6-bromochromen-2-one;3-(1H-benzimidazol-2-yl)chromen-2-one;3-(1H-benzimidazol-2-yl)-N,N-diethyl-2-iminochromen-7-amine;3-(1H-benzimidazol-2-yl)-7-(hydroxymethyl)chromen-2-one;[3-(1H-benzimidazol-2-yl)-2-iminochromen-7-yl]methanol;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;hydrochloride

C126H96BrClN18O13S — CID 158124978

IUPAC2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-imine;3-(1H-benzimidazol-2-yl)-6-bromochromen-2-one;3-(1H-benzimidazol-2-yl)chromen-2-one;3-(1H-benzimidazol-2-yl)-N,N-diethyl-2-iminochromen-7-amine;3-(1H-benzimidazol-2-yl)-7-(hydroxymethyl)chromen-2-one;[3-(1H-benzimidazol-2-yl)-2-iminochromen-7-yl]methanol;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;hydrochloride
SMILESCCN(CC)c1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1.Cl.O=c1oc2cc(CO)ccc2cc1-c1nc2ccccc2[nH]1.O=c1oc2ccc(Br)cc2cc1-c1nc2ccccc2[nH]1.O=c1oc2ccccc2cc1-c1nc2ccccc2[nH]1.[H]/N=c1\oc2cc(CO)ccc2cc1-c1nc2ccccc2[nH]1.[H]/N=c1\oc2cc(N(CC)CC)ccc2cc1-c1nc2ccccc2[nH]1.[H]/N=c1\oc2ccc3ccccc3c2cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C20H20N4O.C20H13N3O.C20H18N2O2S.C17H13N3O2.C17H12N2O3.C16H9BrN2O2.C16H10N2O2.ClH/c1-3-24(4-2)14-10-9-13-11-15(19(21)25-18(13)12-14)20-22-16-7-5-6-8-17(16)23-20;21-19-15(20-22-16-7-3-4-8-17(16)23-20)11-14-13-6-2-1-5-12(13)9-10-18(14)24-19;1-3-22(4-2)14-10-9-13-11-15(20(23)24-17(13)12-14)19-21-16-7-5-6-8-18(16)25-19;18-16-12(17-19-13-3-1-2-4-14(13)20-17)8-11-6-5-10(9-21)7-15(11)22-16;20-9-10-5-6-11-8-12(17(21)22-15(11)7-10)16-18-13-3-1-2-4-14(13)19-16;17-10-5-6-14-9(7-10)8-11(16(20)21-14)15-18-12-3-1-2-4-13(12)19-15;19-16-11(9-10-5-1-4-8-14(10)20-16)15-17-12-6-2-3-7-13(12)18-15;/h5-12,21H,3-4H2,1-2H3,(H,22,23);1-11,21H,(H,22,23);5-12H,3-4H2,1-2H3;1-8,18,21H,9H2,(H,19,20);1-8,20H,9H2,(H,18,19);1-8H,(H,18,19);1-9H,(H,17,18);1H/b2*21-19-;;18-16-;;;;
InChIKeyUPMRXXPWYIFIAH-UYAXISHESA-N
MW2217.69 g/mol
LogP27.46
Rot. Bonds15

About 2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-imine;3-(1H-benzimidazol-2-yl)-6-bromochromen-2-one;3-(1H-benzimidazol-2-yl)chromen-2-one;3-(1H-benzimidazol-2-yl)-N,N-diethyl-2-iminochromen-7-amine;3-(1H-benzimidazol-2-yl)-7-(hydroxymethyl)chromen-2-one;[3-(1H-benzimidazol-2-yl)-2-iminochromen-7-yl]methanol;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;hydrochloride

2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-imine;3-(1H-benzimidazol-2-yl)-6-bromochromen-2-one;3-(1H-benzimidazol-2-yl)chromen-2-one;3-(1H-benzimidazol-2-yl)-N,N-diethyl-2-iminochromen-7-amine;3-(1H-benzimidazol-2-yl)-7-(hydroxymethyl)chromen-2-one;[3-(1H-benzimidazol-2-yl)-2-iminochromen-7-yl]methanol;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;hydrochloride (PubChem CID 158124978) has the molecular formula C126H96BrClN18O13S and a molecular weight of 2217.69 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-imine;3-(1H-benzimidazol-2-yl)-6-bromochromen-2-one;3-(1H-benzimidazol-2-yl)chromen-2-one;3-(1H-benzimidazol-2-yl)-N,N-diethyl-2-iminochromen-7-amine;3-(1H-benzimidazol-2-yl)-7-(hydroxymethyl)chromen-2-one;[3-(1H-benzimidazol-2-yl)-2-iminochromen-7-yl]methanol;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;hydrochloride.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-imine;3-(1H-benzimidazol-2-yl)-6-bromochromen-2-one;3-(1H-benzimidazol-2-yl)chromen-2-one;3-(1H-benzimidazol-2-yl)-N,N-diethyl-2-iminochromen-7-amine;3-(1H-benzimidazol-2-yl)-7-(hydroxymethyl)chromen-2-one;[3-(1H-benzimidazol-2-yl)-2-iminochromen-7-yl]methanol;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;hydrochloride
PubChem CID158124978
Molecular FormulaC126H96BrClN18O13S
Molecular Weight2217.69 g/mol
Exact Mass2214.60
IUPAC Name2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-imine;3-(1H-benzimidazol-2-yl)-6-bromochromen-2-one;3-(1H-benzimidazol-2-yl)chromen-2-one;3-(1H-benzimidazol-2-yl)-N,N-diethyl-2-iminochromen-7-amine;3-(1H-benzimidazol-2-yl)-7-(hydroxymethyl)chromen-2-one;[3-(1H-benzimidazol-2-yl)-2-iminochromen-7-yl]methanol;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;hydrochloride
SMILESCCN(CC)c1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1.Cl.O=c1oc2cc(CO)ccc2cc1-c1nc2ccccc2[nH]1.O=c1oc2ccc(Br)cc2cc1-c1nc2ccccc2[nH]1.O=c1oc2ccccc2cc1-c1nc2ccccc2[nH]1.[H]/N=c1\oc2cc(CO)ccc2cc1-c1nc2ccccc2[nH]1.[H]/N=c1\oc2cc(N(CC)CC)ccc2cc1-c1nc2ccccc2[nH]1.[H]/N=c1\oc2ccc3ccccc3c2cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C20H20N4O.C20H13N3O.C20H18N2O2S.C17H13N3O2.C17H12N2O3.C16H9BrN2O2.C16H10N2O2.ClH/c1-3-24(4-2)14-10-9-13-11-15(19(21)25-18(13)12-14)20-22-16-7-5-6-8-17(16)23-20;21-19-15(20-22-16-7-3-4-8-17(16)23-20)11-14-13-6-2-1-5-12(13)9-10-18(14)24-19;1-3-22(4-2)14-10-9-13-11-15(20(23)24-17(13)12-14)19-21-16-7-5-6-8-18(16)25-19;18-16-12(17-19-13-3-1-2-4-14(13)20-17)8-11-6-5-10(9-21)7-15(11)22-16;20-9-10-5-6-11-8-12(17(21)22-15(11)7-10)16-18-13-3-1-2-4-14(13)19-16;17-10-5-6-14-9(7-10)8-11(16(20)21-14)15-18-12-3-1-2-4-13(12)19-15;19-16-11(9-10-5-1-4-8-14(10)20-16)15-17-12-6-2-3-7-13(12)18-15;/h5-12,21H,3-4H2,1-2H3,(H,22,23);1-11,21H,(H,22,23);5-12H,3-4H2,1-2H3;1-8,18,21H,9H2,(H,19,20);1-8,20H,9H2,(H,18,19);1-8H,(H,18,19);1-9H,(H,17,18);1H/b2*21-19-;;18-16-;;;;
InChIKeyUPMRXXPWYIFIAH-UYAXISHESA-N
XLogP27.46
TPSA463.72 Ų
H-Bond Donors11
H-Bond Acceptors26
Rotatable Bonds15
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002217.69
LogP ≤ 527.46
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-imine;3-(1H-benzimidazol-2-yl)-6-bromochromen-2-one;3-(1H-benzimidazol-2-yl)chromen-2-one;3-(1H-benzimidazol-2-yl)-N,N-diethyl-2-iminochromen-7-amine;3-(1H-benzimidazol-2-yl)-7-(hydroxymethyl)chromen-2-one;[3-(1H-benzimidazol-2-yl)-2-iminochromen-7-yl]methanol;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1H-benzimidazol-2-yl)-7-(diethylamino)chromen-2-one;3-(1H-benzimidazol-2-yl)-7-(N-phenylanilino)chromen-2-one;3-(1,3-benzothiazol-2-yl)-7-(N-phenylanilino)chromen-2-one;ethyl 2-oxo-7-(N-phenylanilino)chromene-3-carboxylate;2-oxo-7-(N-phenylanilino)chromene-3-carboxylic acid
CID 157229174
3-(1H-benzimidazol-2-yl)-7-(diethylamino)chromen-2-one;3-(1H-benzimidazol-2-yl)-7-(N-phenylanilino)chromen-2-one;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;3-(1,3-benzothiazol-2-yl)-7-(N-phenylanilino)chromen-2-one;ethyl 2-oxo-7-(N-phenylanilino)chromene-3-carboxylate;ethyl 10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxylate;2-oxo-7-(N-phenylanilino)chromene-3-carboxylic acid
CID 157489133
2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-imine;3-(1H-benzimidazol-2-yl)chromen-2-one;3-(1H-benzimidazol-2-yl)-7-(diethylamino)chromen-2-one;[3-(1H-benzimidazol-2-yl)-2-iminochromen-7-yl]methanol;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one
CID 159538083
(2E)-3-(1H-benzimidazol-2-yl)-2-[[4-[bis(1,3-benzothiazol-2-yl)methylidene]-6-methylpyran-2-yl]methylidene]-N-ethyl-N-methylchromen-7-amine;(4E)-4-[[(4Z)-4-[1-(1H-benzimidazol-2-yl)ethylidene]-6-methylpyran-2-yl]methylidene]-6-methyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraene;2-[[4-[1-(3H-1,3-benzothiazol-2-ylidene)ethyl]-6-methylpyran-2-ylidene]methyl]-N-benzyl-4-methylchromen-7-imine;ethyl (2Z)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]propanoate;methane
CID 159902875
3-(1H-benzimidazol-2-yl)-7-(diethylamino)chromen-2-one;3-(1H-benzimidazol-2-yl)-7-(N-phenylanilino)chromen-2-one;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;ethyl 2-oxo-7-(N-phenylanilino)chromene-3-carboxylate;2-oxo-7-(N-phenylanilino)chromene-3-carboxylic acid
CID 160240112

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-imine;3-(1H-benzimidazol-2-yl)-6-bromochromen-2-one;3-(1H-benzimidazol-2-yl)chromen-2-one;3-(1H-benzimidazol-2-yl)-N,N-diethyl-2-iminochromen-7-amine;3-(1H-benzimidazol-2-yl)-7-(hydroxymethyl)chromen-2-one;[3-(1H-benzimidazol-2-yl)-2-iminochromen-7-yl]methanol;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;hydrochloride?
The IUPAC name of 2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-imine;3-(1H-benzimidazol-2-yl)-6-bromochromen-2-one;3-(1H-benzimidazol-2-yl)chromen-2-one;3-(1H-benzimidazol-2-yl)-N,N-diethyl-2-iminochromen-7-amine;3-(1H-benzimidazol-2-yl)-7-(hydroxymethyl)chromen-2-one;[3-(1H-benzimidazol-2-yl)-2-iminochromen-7-yl]methanol;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;hydrochloride (CID 158124978) is 2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-imine;3-(1H-benzimidazol-2-yl)-6-bromochromen-2-one;3-(1H-benzimidazol-2-yl)chromen-2-one;3-(1H-benzimidazol-2-yl)-N,N-diethyl-2-iminochromen-7-amine;3-(1H-benzimidazol-2-yl)-7-(hydroxymethyl)chromen-2-one;[3-(1H-benzimidazol-2-yl)-2-iminochromen-7-yl]methanol;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;hydrochloride.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-imine;3-(1H-benzimidazol-2-yl)-6-bromochromen-2-one;3-(1H-benzimidazol-2-yl)chromen-2-one;3-(1H-benzimidazol-2-yl)-N,N-diethyl-2-iminochromen-7-amine;3-(1H-benzimidazol-2-yl)-7-(hydroxymethyl)chromen-2-one;[3-(1H-benzimidazol-2-yl)-2-iminochromen-7-yl]methanol;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;hydrochloride?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-imine;3-(1H-benzimidazol-2-yl)-6-bromochromen-2-one;3-(1H-benzimidazol-2-yl)chromen-2-one;3-(1H-benzimidazol-2-yl)-N,N-diethyl-2-iminochromen-7-amine;3-(1H-benzimidazol-2-yl)-7-(hydroxymethyl)chromen-2-one;[3-(1H-benzimidazol-2-yl)-2-iminochromen-7-yl]methanol;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;hydrochloride is CCN(CC)c1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1.Cl.O=c1oc2cc(CO)ccc2cc1-c1nc2ccccc2[nH]1.O=c1oc2ccc(Br)cc2cc1-c1nc2ccccc2[nH]1.O=c1oc2ccccc2cc1-c1nc2ccccc2[nH]1.[H]/N=c1\oc2cc(CO)ccc2cc1-c1nc2ccccc2[nH]1.[H]/N=c1\oc2cc(N(CC)CC)ccc2cc1-c1nc2ccccc2[nH]1.[H]/N=c1\oc2ccc3ccccc3c2cc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-imine;3-(1H-benzimidazol-2-yl)-6-bromochromen-2-one;3-(1H-benzimidazol-2-yl)chromen-2-one;3-(1H-benzimidazol-2-yl)-N,N-diethyl-2-iminochromen-7-amine;3-(1H-benzimidazol-2-yl)-7-(hydroxymethyl)chromen-2-one;[3-(1H-benzimidazol-2-yl)-2-iminochromen-7-yl]methanol;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;hydrochloride?
The InChIKey is UPMRXXPWYIFIAH-UYAXISHESA-N. The full InChI is InChI=1S/C20H20N4O.C20H13N3O.C20H18N2O2S.C17H13N3O2.C17H12N2O3.C16H9BrN2O2.C16H10N2O2.ClH/c1-3-24(4-2)14-10-9-13-11-15(19(21)25-18(13)12-14)20-22-16-7-5-6-8-17(16)23-20;21-19-15(20-22-16-7-3-4-8-17(16)23-20)11-14-13-6-2-1-5-12(13)9-10-18(14)24-19;1-3-22(4-2)14-10-9-13-11-15(20(23)24-17(13)12-14)19-21-16-7-5-6-8-18(16)25-19;18-16-12(17-19-13-3-1-2-4-14(13)20-17)8-11-6-5-10(9-21)7-15(11)22-16;20-9-10-5-6-11-8-12(17(21)22-15(11)7-10)16-18-13-3-1-2-4-14(13)19-16;17-10-5-6-14-9(7-10)8-11(16(20)21-14)15-18-12-3-1-2-4-13(12)19-15;19-16-11(9-10-5-1-4-8-14(10)20-16)15-17-12-6-2-3-7-13(12)18-15;/h5-12,21H,3-4H2,1-2H3,(H,22,23);1-11,21H,(H,22,23);5-12H,3-4H2,1-2H3;1-8,18,21H,9H2,(H,19,20);1-8,20H,9H2,(H,18,19);1-8H,(H,18,19);1-9H,(H,17,18);1H/b2*21-19-;;18-16-;;;;.
What are the key properties of 2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-imine;3-(1H-benzimidazol-2-yl)-6-bromochromen-2-one;3-(1H-benzimidazol-2-yl)chromen-2-one;3-(1H-benzimidazol-2-yl)-N,N-diethyl-2-iminochromen-7-amine;3-(1H-benzimidazol-2-yl)-7-(hydroxymethyl)chromen-2-one;[3-(1H-benzimidazol-2-yl)-2-iminochromen-7-yl]methanol;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;hydrochloride?
2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-imine;3-(1H-benzimidazol-2-yl)-6-bromochromen-2-one;3-(1H-benzimidazol-2-yl)chromen-2-one;3-(1H-benzimidazol-2-yl)-N,N-diethyl-2-iminochromen-7-amine;3-(1H-benzimidazol-2-yl)-7-(hydroxymethyl)chromen-2-one;[3-(1H-benzimidazol-2-yl)-2-iminochromen-7-yl]methanol;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;hydrochloride has a molecular weight of 2217.69 g/mol, XLogP of 27.46, 15 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-imine;3-(1H-benzimidazol-2-yl)-6-bromochromen-2-one;3-(1H-benzimidazol-2-yl)chromen-2-one;3-(1H-benzimidazol-2-yl)-N,N-diethyl-2-iminochromen-7-amine;3-(1H-benzimidazol-2-yl)-7-(hydroxymethyl)chromen-2-one;[3-(1H-benzimidazol-2-yl)-2-iminochromen-7-yl]methanol;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;hydrochloride is sourced from PubChem (CID 158124978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).