[3-methyl-2-(2-pyridin-4-ylethyl)benzimidazol-5-yl]methanamine

C16H18N4 — CID 104712932

IUPAC[3-methyl-2-(2-pyridin-4-ylethyl)benzimidazol-5-yl]methanamine
SMILESCn1c(CCc2ccncc2)nc2ccc(CN)cc21
InChIInChI=1S/C16H18N4/c1-20-15-10-13(11-17)2-4-14(15)19-16(20)5-3-12-6-8-18-9-7-12/h2,4,6-10H,3,5,11,17H2,1H3
InChIKeyJOHYGRJREPQUOE-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.21
Rot. Bonds4

About [3-methyl-2-(2-pyridin-4-ylethyl)benzimidazol-5-yl]methanamine

[3-methyl-2-(2-pyridin-4-ylethyl)benzimidazol-5-yl]methanamine (PubChem CID 104712932) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is [3-methyl-2-(2-pyridin-4-ylethyl)benzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-2-(2-pyridin-4-ylethyl)benzimidazol-5-yl]methanamine
PubChem CID104712932
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name[3-methyl-2-(2-pyridin-4-ylethyl)benzimidazol-5-yl]methanamine
SMILESCn1c(CCc2ccncc2)nc2ccc(CN)cc21
InChIInChI=1S/C16H18N4/c1-20-15-10-13(11-17)2-4-14(15)19-16(20)5-3-12-6-8-18-9-7-12/h2,4,6-10H,3,5,11,17H2,1H3
InChIKeyJOHYGRJREPQUOE-UHFFFAOYSA-N
XLogP2.21
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,3-dimethylbutyl)-3-methylbenzimidazol-5-yl]methanamine
CID 114212936
[6-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol
CID 104713063
[2-[(4-chlorophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine
CID 104713141
6-(aminomethyl)-1-methylbenzimidazol-2-amine
CID 84767207
[2-(cyclobutylmethyl)-3-methylbenzimidazol-5-yl]methanamine
CID 103167106
[3-methyl-2-(2,2,2-trifluoroethoxymethyl)benzimidazol-5-yl]methanamine
CID 103213116
[2-[(3-bromophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine
CID 104713039
4-(3-methylimidazo[4,5-c]pyridin-2-yl)butan-1-amine
CID 18694804
[2-[(3-ethoxycyclobutyl)methyl]-3-methylbenzimidazol-5-yl]methanamine
CID 103167107
[2-(3,4-difluorophenyl)-3-methylbenzimidazol-5-yl]methanamine
CID 104713201
[3-methyl-2-(2-methyl-4-pyridinyl)benzimidazol-5-yl]methanamine
CID 106754392
N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]pyridine-4-carboxamide
CID 46290663

Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(2-pyridin-4-ylethyl)benzimidazol-5-yl]methanamine?
The IUPAC name of [3-methyl-2-(2-pyridin-4-ylethyl)benzimidazol-5-yl]methanamine (CID 104712932) is [3-methyl-2-(2-pyridin-4-ylethyl)benzimidazol-5-yl]methanamine.
What is the SMILES notation for [3-methyl-2-(2-pyridin-4-ylethyl)benzimidazol-5-yl]methanamine?
The canonical SMILES for [3-methyl-2-(2-pyridin-4-ylethyl)benzimidazol-5-yl]methanamine is Cn1c(CCc2ccncc2)nc2ccc(CN)cc21.
What is the InChIKey of [3-methyl-2-(2-pyridin-4-ylethyl)benzimidazol-5-yl]methanamine?
The InChIKey is JOHYGRJREPQUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-20-15-10-13(11-17)2-4-14(15)19-16(20)5-3-12-6-8-18-9-7-12/h2,4,6-10H,3,5,11,17H2,1H3.
What are the key properties of [3-methyl-2-(2-pyridin-4-ylethyl)benzimidazol-5-yl]methanamine?
[3-methyl-2-(2-pyridin-4-ylethyl)benzimidazol-5-yl]methanamine has a molecular weight of 266.35 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-(2-pyridin-4-ylethyl)benzimidazol-5-yl]methanamine is sourced from PubChem (CID 104712932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).