3-[(1H-benzimidazol-2-ylamino)methyl]-1H-indole-6-carbonitrile

C17H13N5 — CID 166172613

IUPAC3-[(1H-benzimidazol-2-ylamino)methyl]-1H-indole-6-carbonitrile
SMILESN#Cc1ccc2c(CNc3nc4ccccc4[nH]3)c[nH]c2c1
InChIInChI=1S/C17H13N5/c18-8-11-5-6-13-12(9-19-16(13)7-11)10-20-17-21-14-3-1-2-4-15(14)22-17/h1-7,9,19H,10H2,(H2,20,21,22)
InChIKeyAAFZEHNEJOZGNI-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.53
Rot. Bonds3

About 3-[(1H-benzimidazol-2-ylamino)methyl]-1H-indole-6-carbonitrile

3-[(1H-benzimidazol-2-ylamino)methyl]-1H-indole-6-carbonitrile (PubChem CID 166172613) has the molecular formula C17H13N5 and a molecular weight of 287.33 g/mol. Its IUPAC name is 3-[(1H-benzimidazol-2-ylamino)methyl]-1H-indole-6-carbonitrile.

Molecular Properties

Compound Name3-[(1H-benzimidazol-2-ylamino)methyl]-1H-indole-6-carbonitrile
PubChem CID166172613
Molecular FormulaC17H13N5
Molecular Weight287.33 g/mol
Exact Mass287.12
IUPAC Name3-[(1H-benzimidazol-2-ylamino)methyl]-1H-indole-6-carbonitrile
SMILESN#Cc1ccc2c(CNc3nc4ccccc4[nH]3)c[nH]c2c1
InChIInChI=1S/C17H13N5/c18-8-11-5-6-13-12(9-19-16(13)7-11)10-20-17-21-14-3-1-2-4-15(14)22-17/h1-7,9,19H,10H2,(H2,20,21,22)
InChIKeyAAFZEHNEJOZGNI-UHFFFAOYSA-N
XLogP3.53
TPSA80.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-1H-benzimidazol-2-amine
CID 30033461
N-[(2,4-dimethylphenyl)methyl]-1H-benzimidazol-2-amine
CID 115143837
N-[[3-[(1H-benzimidazol-2-ylamino)methyl]phenyl]methyl]-1H-benzimidazol-2-amine
CID 101271136
N-[(2,5-difluorophenyl)methyl]-1H-benzimidazol-2-amine
CID 63795518
N-[[2-(difluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 154703945
N-[[2-(methoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 60923540
3-(3-chloropropyl)-1H-indole-6-carbonitrile
CID 57120485
CID 161271779
CID 161271779
4-[(1H-benzimidazol-2-ylamino)methyl]phenol
CID 83296982
3-fluoro-5-(1H-indol-3-ylmethylamino)-4-methylbenzonitrile
CID 62332437
N-(1H-indol-5-ylmethyl)-1H-benzimidazol-2-amine
CID 83326035
1H-benzimidazole-2-carbonitrile
CID 843858

Frequently Asked Questions

What is the IUPAC name of 3-[(1H-benzimidazol-2-ylamino)methyl]-1H-indole-6-carbonitrile?
The IUPAC name of 3-[(1H-benzimidazol-2-ylamino)methyl]-1H-indole-6-carbonitrile (CID 166172613) is 3-[(1H-benzimidazol-2-ylamino)methyl]-1H-indole-6-carbonitrile.
What is the SMILES notation for 3-[(1H-benzimidazol-2-ylamino)methyl]-1H-indole-6-carbonitrile?
The canonical SMILES for 3-[(1H-benzimidazol-2-ylamino)methyl]-1H-indole-6-carbonitrile is N#Cc1ccc2c(CNc3nc4ccccc4[nH]3)c[nH]c2c1.
What is the InChIKey of 3-[(1H-benzimidazol-2-ylamino)methyl]-1H-indole-6-carbonitrile?
The InChIKey is AAFZEHNEJOZGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5/c18-8-11-5-6-13-12(9-19-16(13)7-11)10-20-17-21-14-3-1-2-4-15(14)22-17/h1-7,9,19H,10H2,(H2,20,21,22).
What are the key properties of 3-[(1H-benzimidazol-2-ylamino)methyl]-1H-indole-6-carbonitrile?
3-[(1H-benzimidazol-2-ylamino)methyl]-1H-indole-6-carbonitrile has a molecular weight of 287.33 g/mol, XLogP of 3.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1H-benzimidazol-2-ylamino)methyl]-1H-indole-6-carbonitrile is sourced from PubChem (CID 166172613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).