2-[[7-(hydroxymethyl)-5-methyl-1H-indol-4-yl]methyl]-3H-benzimidazole-5-carbonitrile

C19H16N4O — CID 86701685

IUPAC2-[[7-(hydroxymethyl)-5-methyl-1H-indol-4-yl]methyl]-3H-benzimidazole-5-carbonitrile
SMILESCc1cc(CO)c2[nH]ccc2c1Cc1nc2ccc(C#N)cc2[nH]1
InChIInChI=1S/C19H16N4O/c1-11-6-13(10-24)19-14(4-5-21-19)15(11)8-18-22-16-3-2-12(9-20)7-17(16)23-18/h2-7,21,24H,8,10H2,1H3,(H,22,23)
InChIKeyHIGAIWMFFYEBBS-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.31
Rot. Bonds3

About 2-[[7-(hydroxymethyl)-5-methyl-1H-indol-4-yl]methyl]-3H-benzimidazole-5-carbonitrile

2-[[7-(hydroxymethyl)-5-methyl-1H-indol-4-yl]methyl]-3H-benzimidazole-5-carbonitrile (PubChem CID 86701685) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[[7-(hydroxymethyl)-5-methyl-1H-indol-4-yl]methyl]-3H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-[[7-(hydroxymethyl)-5-methyl-1H-indol-4-yl]methyl]-3H-benzimidazole-5-carbonitrile
PubChem CID86701685
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name2-[[7-(hydroxymethyl)-5-methyl-1H-indol-4-yl]methyl]-3H-benzimidazole-5-carbonitrile
SMILESCc1cc(CO)c2[nH]ccc2c1Cc1nc2ccc(C#N)cc2[nH]1
InChIInChI=1S/C19H16N4O/c1-11-6-13(10-24)19-14(4-5-21-19)15(11)8-18-22-16-3-2-12(9-20)7-17(16)23-18/h2-7,21,24H,8,10H2,1H3,(H,22,23)
InChIKeyHIGAIWMFFYEBBS-UHFFFAOYSA-N
XLogP3.31
TPSA88.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(7-bromo-5-methyl-1H-indol-4-yl)methyl]-3H-benzimidazole-5-carbonitrile
CID 86701681
2-[(7-chloro-5-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole
CID 141393384
2-[[5-ethyl-7-methyl-3-(2,2,2-trifluoro-1-hydroxyethyl)-1H-indol-4-yl]methyl]-3H-benzimidazole-5-carbonitrile
CID 86701619
2-ethyl-3H-benzimidazole-5-carbonitrile
CID 70184762
2-[(5-ethyl-7-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole
CID 141393452
2-[1-(5,7-dimethyl-1H-indol-4-yl)propyl]-3H-benzimidazole-5-carbonitrile
CID 147943521
2-[amino-(5-ethyl-7-methyl-1H-indol-4-yl)methyl]-3H-benzimidazole-5-carbonitrile
CID 86701632
2-(6-cyano-1H-benzimidazol-2-yl)acetic acid
CID 22002129
2-[[7-ethenyl-5-methyl-1-(4-methylphenyl)sulfonylindol-4-yl]methyl]-3H-benzimidazole-5-carbonitrile
CID 86701674
2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole
CID 141393324
2-heptyl-3H-benzimidazole-5-carbonitrile
CID 79004327
N-[(6-cyano-1H-benzimidazol-2-yl)methyl]acetamide
CID 124703638

Frequently Asked Questions

What is the IUPAC name of 2-[[7-(hydroxymethyl)-5-methyl-1H-indol-4-yl]methyl]-3H-benzimidazole-5-carbonitrile?
The IUPAC name of 2-[[7-(hydroxymethyl)-5-methyl-1H-indol-4-yl]methyl]-3H-benzimidazole-5-carbonitrile (CID 86701685) is 2-[[7-(hydroxymethyl)-5-methyl-1H-indol-4-yl]methyl]-3H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-[[7-(hydroxymethyl)-5-methyl-1H-indol-4-yl]methyl]-3H-benzimidazole-5-carbonitrile?
The canonical SMILES for 2-[[7-(hydroxymethyl)-5-methyl-1H-indol-4-yl]methyl]-3H-benzimidazole-5-carbonitrile is Cc1cc(CO)c2[nH]ccc2c1Cc1nc2ccc(C#N)cc2[nH]1.
What is the InChIKey of 2-[[7-(hydroxymethyl)-5-methyl-1H-indol-4-yl]methyl]-3H-benzimidazole-5-carbonitrile?
The InChIKey is HIGAIWMFFYEBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-11-6-13(10-24)19-14(4-5-21-19)15(11)8-18-22-16-3-2-12(9-20)7-17(16)23-18/h2-7,21,24H,8,10H2,1H3,(H,22,23).
What are the key properties of 2-[[7-(hydroxymethyl)-5-methyl-1H-indol-4-yl]methyl]-3H-benzimidazole-5-carbonitrile?
2-[[7-(hydroxymethyl)-5-methyl-1H-indol-4-yl]methyl]-3H-benzimidazole-5-carbonitrile has a molecular weight of 316.36 g/mol, XLogP of 3.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(hydroxymethyl)-5-methyl-1H-indol-4-yl]methyl]-3H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 86701685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).