2-[(7-chloro-5-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole

C17H14ClN3 — CID 141393384

IUPAC2-[(7-chloro-5-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole
SMILESCc1cc(Cl)c2[nH]ccc2c1Cc1nc2ccccc2[nH]1
InChIInChI=1S/C17H14ClN3/c1-10-8-13(18)17-11(6-7-19-17)12(10)9-16-20-14-4-2-3-5-15(14)21-16/h2-8,19H,9H2,1H3,(H,20,21)
InChIKeyBQNRPQAQWQUJCG-UHFFFAOYSA-N
MW295.77 g/mol
LogP4.60
Rot. Bonds2

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

2-[(7-chloro-5-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole (PubChem CID 141393384) has the molecular formula C17H14ClN3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-[(7-chloro-5-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(7-chloro-5-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole
PubChem CID141393384
Molecular FormulaC17H14ClN3
Molecular Weight295.77 g/mol
Exact Mass295.09
IUPAC Name2-[(7-chloro-5-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole
SMILESCc1cc(Cl)c2[nH]ccc2c1Cc1nc2ccccc2[nH]1
InChIInChI=1S/C17H14ClN3/c1-10-8-13(18)17-11(6-7-19-17)12(10)9-16-20-14-4-2-3-5-15(14)21-16/h2-8,19H,9H2,1H3,(H,20,21)
InChIKeyBQNRPQAQWQUJCG-UHFFFAOYSA-N
XLogP4.60
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole
CID 141393324
2-[(5-ethyl-7-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole
CID 141393452
2-[(7-bromo-5-methyl-1H-indol-4-yl)methyl]-3H-benzimidazole-5-carbonitrile
CID 86701681
2-[[7-(hydroxymethyl)-5-methyl-1H-indol-4-yl]methyl]-3H-benzimidazole-5-carbonitrile
CID 86701685
2-[(4,6-dichloropyrimidin-2-yl)methyl]-1H-benzimidazole
CID 63637718
2-[(2,5-dimethylphenyl)methyl]-1H-benzimidazole
CID 62537868
2-[2-(2-methyl-1H-indol-3-yl)ethyl]-1H-benzimidazole
CID 102533915
2-[(4-methylphenyl)methyl]-1H-benzimidazole
CID 772158
2-[(2,6-dimethoxyphenyl)methyl]-1H-benzimidazole
CID 139695649
2-[(2-chloro-4-fluorophenyl)methyl]-1H-benzimidazole
CID 54469755
2-[(4-chloro-5-ethyl-6-methylpyrimidin-2-yl)methyl]-1H-benzimidazole
CID 63637400
2-(4-chloro-2,5-dimethylphenyl)-1H-benzimidazole
CID 168554186

Frequently Asked Questions

What is the IUPAC name of 2-[(7-chloro-5-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole?
The IUPAC name of 2-[(7-chloro-5-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole (CID 141393384) is 2-[(7-chloro-5-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(7-chloro-5-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole?
The canonical SMILES for 2-[(7-chloro-5-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole is Cc1cc(Cl)c2[nH]ccc2c1Cc1nc2ccccc2[nH]1.
What is the InChIKey of 2-[(7-chloro-5-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole?
The InChIKey is BQNRPQAQWQUJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3/c1-10-8-13(18)17-11(6-7-19-17)12(10)9-16-20-14-4-2-3-5-15(14)21-16/h2-8,19H,9H2,1H3,(H,20,21).
What are the key properties of 2-[(7-chloro-5-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole?
2-[(7-chloro-5-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole has a molecular weight of 295.77 g/mol, XLogP of 4.60, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-chloro-5-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole is sourced from PubChem (CID 141393384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).