3-(1H-benzimidazol-2-yl)-7-methylchromen-2-imine;ethane

C21H25N3O — CID 90915166

IUPAC3-(1H-benzimidazol-2-yl)-7-methylchromen-2-imine;ethane
SMILESCC.CC.[H]/N=c1\oc2cc(C)ccc2cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C17H13N3O.2C2H6/c1-10-6-7-11-9-12(16(18)21-15(11)8-10)17-19-13-4-2-3-5-14(13)20-17;2*1-2/h2-9,18H,1H3,(H,19,20);2*1-2H3/b18-16-;;
InChIKeyXRTPCGDAYUHNBD-KZYDBBBVSA-N
MW335.45 g/mol
LogP5.82
Rot. Bonds1

About 3-(1H-benzimidazol-2-yl)-7-methylchromen-2-imine;ethane

3-(1H-benzimidazol-2-yl)-7-methylchromen-2-imine;ethane (PubChem CID 90915166) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-7-methylchromen-2-imine;ethane.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-7-methylchromen-2-imine;ethane
PubChem CID90915166
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name3-(1H-benzimidazol-2-yl)-7-methylchromen-2-imine;ethane
SMILESCC.CC.[H]/N=c1\oc2cc(C)ccc2cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C17H13N3O.2C2H6/c1-10-6-7-11-9-12(16(18)21-15(11)8-10)17-19-13-4-2-3-5-14(13)20-17;2*1-2/h2-9,18H,1H3,(H,19,20);2*1-2H3/b18-16-;;
InChIKeyXRTPCGDAYUHNBD-KZYDBBBVSA-N
XLogP5.82
TPSA65.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1H-benzimidazol-2-yl)-7-methylchromen-2-imine;ethane 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-[[3-(1H-benzimidazol-2-yl)-2-iminochromen-7-yl]-ethylamino]propanoic acid
CID 10959752
3-(1H-benzimidazol-2-yl)-8-methoxychromen-2-imine
CID 767391
2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 17010591
3-(4-methylphenyl)chromen-2-imine
CID 10657405
3-(1H-benzimidazol-2-yl)-7-[di(propan-2-yl)amino]chromen-2-one
CID 142605433
2-(4-chloro-2,5-dimethylphenyl)-1H-benzimidazole
CID 168554186
3-(1H-benzimidazol-2-yl)-6-methoxy-N-(4-methylphenyl)chromen-2-imine
CID 5128973
3-(1H-benzimidazol-2-yl)-7-(3-methylazetidin-1-yl)chromen-2-one
CID 157263798
3-(1H-benzimidazol-2-yl)-6-iodo-8-methylchromen-2-one
CID 17078675
2-(1H-benzimidazol-2-yl)-4-[(4-methylphenyl)diazenyl]phenol
CID 136742410
N-[[3-(1H-benzimidazol-2-yl)-7-hydroxychromen-2-ylidene]amino]-2-methoxybenzamide
CID 135466780
2-phenanthren-9-yl-1H-benzimidazole
CID 102492769

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-7-methylchromen-2-imine;ethane?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-7-methylchromen-2-imine;ethane (CID 90915166) is 3-(1H-benzimidazol-2-yl)-7-methylchromen-2-imine;ethane.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-7-methylchromen-2-imine;ethane?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-7-methylchromen-2-imine;ethane is CC.CC.[H]/N=c1\oc2cc(C)ccc2cc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-7-methylchromen-2-imine;ethane?
The InChIKey is XRTPCGDAYUHNBD-KZYDBBBVSA-N. The full InChI is InChI=1S/C17H13N3O.2C2H6/c1-10-6-7-11-9-12(16(18)21-15(11)8-10)17-19-13-4-2-3-5-14(13)20-17;2*1-2/h2-9,18H,1H3,(H,19,20);2*1-2H3/b18-16-;;.
What are the key properties of 3-(1H-benzimidazol-2-yl)-7-methylchromen-2-imine;ethane?
3-(1H-benzimidazol-2-yl)-7-methylchromen-2-imine;ethane has a molecular weight of 335.45 g/mol, XLogP of 5.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-7-methylchromen-2-imine;ethane is sourced from PubChem (CID 90915166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).