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

C93H73N13O9S — CID 159538083

IUPAC2-(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
SMILESCCN(CC)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1.CCN(CC)c1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1.O=c1oc2ccccc2cc1-c1nc2ccccc2[nH]1.[H]/N=c1\oc2cc(CO)ccc2cc1-c1nc2ccccc2[nH]1.[H]/N=c1\oc2ccc3ccccc3c2cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C20H19N3O2.C20H13N3O.C20H18N2O2S.C17H13N3O2.C16H10N2O2/c1-3-23(4-2)14-10-9-13-11-15(20(24)25-18(13)12-14)19-21-16-7-5-6-8-17(16)22-19;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;19-16-11(9-10-5-1-4-8-14(10)20-16)15-17-12-6-2-3-7-13(12)18-15/h5-12H,3-4H2,1-2H3,(H,21,22);1-11,21H,(H,22,23);5-12H,3-4H2,1-2H3;1-8,18,21H,9H2,(H,19,20);1-9H,(H,17,18)/b;21-19-;;18-16-;
InChIKeyMDVTXKLETFKCAN-AYRXWQGPSA-N
MW1548.76 g/mol
LogP19.99
Rot. Bonds12

About 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

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 (PubChem CID 159538083) has the molecular formula C93H73N13O9S and a molecular weight of 1548.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID159538083
Molecular FormulaC93H73N13O9S
Molecular Weight1548.76 g/mol
Exact Mass1547.54
IUPAC Name2-(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
SMILESCCN(CC)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1.CCN(CC)c1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1.O=c1oc2ccccc2cc1-c1nc2ccccc2[nH]1.[H]/N=c1\oc2cc(CO)ccc2cc1-c1nc2ccccc2[nH]1.[H]/N=c1\oc2ccc3ccccc3c2cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C20H19N3O2.C20H13N3O.C20H18N2O2S.C17H13N3O2.C16H10N2O2/c1-3-23(4-2)14-10-9-13-11-15(20(24)25-18(13)12-14)19-21-16-7-5-6-8-17(16)22-19;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;19-16-11(9-10-5-1-4-8-14(10)20-16)15-17-12-6-2-3-7-13(12)18-15/h5-12H,3-4H2,1-2H3,(H,21,22);1-11,21H,(H,22,23);5-12H,3-4H2,1-2H3;1-8,18,21H,9H2,(H,19,20);1-9H,(H,17,18)/b;21-19-;;18-16-;
InChIKeyMDVTXKLETFKCAN-AYRXWQGPSA-N
XLogP19.99
TPSA318.93 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001548.76
LogP ≤ 519.99
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

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)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 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

7-amino-4-(trifluoromethyl)chromen-2-one;3-(1H-benzimidazol-2-yl)-7-(diethylamino)chromen-2-one;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one;ethyl 4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxylate;6-methyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one
CID 157051787
3-(1H-benzimidazol-2-yl)-7-(diethylamino)chromen-2-one;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one;6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one
CID 159441865
6-(1H-benzimidazol-2-yl)-4-(1,3-benzothiazol-2-yl)-7-(furan-2-yl)-3,5-bis(1H-indol-2-yl)chromen-2-one
CID 141056962
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
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;(2Z)-2-isocyano-2-[2-methyl-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]pyran-4-ylidene]acetonitrile;2-oxo-7-(N-phenylanilino)chromene-3-carboxylic acid
CID 157626202
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;hepta-1,3,5-triyne;hepta-1,3,5-triyne-1-thiol;hexa-1,3,5-triyne;hexa-1,3,5-triyne-1-thiol;methane;2-oxo-7-(N-phenylanilino)chromene-3-carboxylic acid
CID 158021810
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
7-(diethylamino)-3-[(E)-2-[3-[[1-[3-[4-[[2-[(E)-2-[7-(diethylamino)-2-oxochromen-3-yl]ethenyl]-1,3-benzothiazol-3-ium-3-yl]methyl]triazol-1-yl]propyl]triazol-4-yl]methyl]-1,3-benzothiazol-3-ium-2-yl]ethenyl]chromen-2-one;9,10-diethylanthracene;2,6-diethylnaphthalene;ethyl-[3-[ethyl(dimethyl)azaniumyl]propyl]-dimethylazanium;methane;1-methyl-3-[(3-methylimidazol-3-ium-1-yl)methyl]imidazol-1-ium;propane
CID 158136520
3-(1,3-Benzothiazol-2-yl)-8-[[bis(2-hydroxyethyl)amino]methyl]-7-hydroxychromen-2-one;3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one;6-ethyl-7-hydroxy-4-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one;7-hydroxy-3-(1-methylbenzimidazol-2-yl)-8-(pyrrolidin-1-ylmethyl)chromen-2-one;7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one
CID 158978819
5-(1H-benzimidazol-2-yl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;5-(1,3-benzothiazol-2-yl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;bis(5-(1,3-benzothiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one);6-(3,4-dimethoxyphenyl)-4,7-bis(4-ethoxyphenyl)-[1,2,5]thiadiazolo[3,4-c]pyridine;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-ylidene]-2-isocyanoacetonitrile;2-N,2-N,4-N,4-N,6-N,6-N,8-N,8-N-octakis-phenylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine
CID 158991830
(2E)-3-(1H-benzimidazol-2-yl)-2-[[4-[bis(1,3-benzothiazol-2-yl)methylidene]-6-methylpyran-2-yl]methylidene]-N,N-diethylchromen-7-amine;2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-[(7-benzylimino-4-methylchromen-2-yl)methylidene]-6-methylpyran-4-yl]acetonitrile;(2E)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]-3-phenyl-3H-inden-1-one;ethyl (2Z)-2-cyano-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]acetate;2-[(8E)-8-[6-ethyl-7-(ethylamino)-4-methylchromen-2-ylidene]-6,7-dihydro-5H-chromen-4-ylidene]propanedinitrile
CID 159421404

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN(CC)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1.CCN(CC)c1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1.O=c1oc2ccccc2cc1-c1nc2ccccc2[nH]1.[H]/N=c1\oc2cc(CO)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)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?
The InChIKey is MDVTXKLETFKCAN-AYRXWQGPSA-N. The full InChI is InChI=1S/C20H19N3O2.C20H13N3O.C20H18N2O2S.C17H13N3O2.C16H10N2O2/c1-3-23(4-2)14-10-9-13-11-15(20(24)25-18(13)12-14)19-21-16-7-5-6-8-17(16)22-19;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;19-16-11(9-10-5-1-4-8-14(10)20-16)15-17-12-6-2-3-7-13(12)18-15/h5-12H,3-4H2,1-2H3,(H,21,22);1-11,21H,(H,22,23);5-12H,3-4H2,1-2H3;1-8,18,21H,9H2,(H,19,20);1-9H,(H,17,18)/b;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)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?
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 has a molecular weight of 1548.76 g/mol, XLogP of 19.99, 12 rotatable bonds, 7 hydrogen bond donors, and 19 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)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 is sourced from PubChem (CID 159538083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).