[4-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-2-pyridinyl]methanamine

C16H17ClN4 — CID 114324638

IUPAC[4-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-2-pyridinyl]methanamine
SMILESCC(C)n1c(-c2ccnc(CN)c2)nc2cccc(Cl)c21
InChIInChI=1S/C16H17ClN4/c1-10(2)21-15-13(17)4-3-5-14(15)20-16(21)11-6-7-19-12(8-11)9-18/h3-8,10H,9,18H2,1-2H3
InChIKeyYYMDIYUGXJJHHQ-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.79
Rot. Bonds3

About [4-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-2-pyridinyl]methanamine

[4-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-2-pyridinyl]methanamine (PubChem CID 114324638) has the molecular formula C16H17ClN4 and a molecular weight of 300.79 g/mol. Its IUPAC name is [4-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-2-pyridinyl]methanamine
PubChem CID114324638
Molecular FormulaC16H17ClN4
Molecular Weight300.79 g/mol
Exact Mass300.11
IUPAC Name[4-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-2-pyridinyl]methanamine
SMILESCC(C)n1c(-c2ccnc(CN)c2)nc2cccc(Cl)c21
InChIInChI=1S/C16H17ClN4/c1-10(2)21-15-13(17)4-3-5-14(15)20-16(21)11-6-7-19-12(8-11)9-18/h3-8,10H,9,18H2,1-2H3
InChIKeyYYMDIYUGXJJHHQ-UHFFFAOYSA-N
XLogP3.79
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-2-pyridinyl]methanamine 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-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)aniline
CID 60788267
3-chloro-4-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)aniline
CID 61399197
2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-4-methylaniline
CID 60786773
2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-4-methylthiophen-3-amine
CID 114915467
[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]methanamine
CID 114324602
5-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)thiophen-2-amine
CID 60786771
2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-fluorophenol
CID 136789678
3-amino-3-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol
CID 61230072
(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-cyclopropylmethanamine
CID 55108333
5-[2-(aminomethyl)-4-pyridinyl]-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597554
[4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine
CID 114325434
3-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)propanoic acid
CID 54920211

Frequently Asked Questions

What is the IUPAC name of [4-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-2-pyridinyl]methanamine?
The IUPAC name of [4-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-2-pyridinyl]methanamine (CID 114324638) is [4-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-2-pyridinyl]methanamine?
The canonical SMILES for [4-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-2-pyridinyl]methanamine is CC(C)n1c(-c2ccnc(CN)c2)nc2cccc(Cl)c21.
What is the InChIKey of [4-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-2-pyridinyl]methanamine?
The InChIKey is YYMDIYUGXJJHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4/c1-10(2)21-15-13(17)4-3-5-14(15)20-16(21)11-6-7-19-12(8-11)9-18/h3-8,10H,9,18H2,1-2H3.
What are the key properties of [4-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-2-pyridinyl]methanamine?
[4-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-2-pyridinyl]methanamine has a molecular weight of 300.79 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-2-pyridinyl]methanamine is sourced from PubChem (CID 114324638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).