[2-(3-chloro-4-pyridinyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine

C16H17ClN4 — CID 66473098

IUPAC[2-(3-chloro-4-pyridinyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
SMILESCC(C)n1c(-c2ccncc2Cl)nc2cc(CN)ccc21
InChIInChI=1S/C16H17ClN4/c1-10(2)21-15-4-3-11(8-18)7-14(15)20-16(21)12-5-6-19-9-13(12)17/h3-7,9-10H,8,18H2,1-2H3
InChIKeyBJWNVBWEZIOFLI-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.79
Rot. Bonds3

About [2-(3-chloro-4-pyridinyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine

[2-(3-chloro-4-pyridinyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine (PubChem CID 66473098) has the molecular formula C16H17ClN4 and a molecular weight of 300.79 g/mol. Its IUPAC name is [2-(3-chloro-4-pyridinyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3-chloro-4-pyridinyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
PubChem CID66473098
Molecular FormulaC16H17ClN4
Molecular Weight300.79 g/mol
Exact Mass300.11
IUPAC Name[2-(3-chloro-4-pyridinyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
SMILESCC(C)n1c(-c2ccncc2Cl)nc2cc(CN)ccc21
InChIInChI=1S/C16H17ClN4/c1-10(2)21-15-4-3-11(8-18)7-14(15)20-16(21)12-5-6-19-9-13(12)17/h3-7,9-10H,8,18H2,1-2H3
InChIKeyBJWNVBWEZIOFLI-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

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Related Compounds

2-(3-chloro-4-pyridinyl)-1-propan-2-ylbenzimidazole-5-carbonitrile
CID 66472898
(1-propan-2-yl-2-pyrazin-2-ylbenzimidazol-5-yl)methanamine
CID 65037653
3-[5-(aminomethyl)-1-propan-2-ylbenzimidazol-2-yl]-1H-pyridin-4-one
CID 136812792
[2-(5-iodothiophen-3-yl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
CID 79690117
[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenyl]methanamine
CID 60785792
[2-(methylsulfanylmethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
CID 65037754
(2-pentan-2-yl-1-propan-2-ylbenzimidazol-5-yl)methanamine
CID 65037847
[2-(2-methylbutan-2-yl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
CID 65037701
(2-cyclobutyl-1-propan-2-ylbenzimidazol-5-yl)methanamine
CID 65037850
[2-(ethoxymethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
CID 65038230
(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanamine
CID 82333500
[2-[(2-methylpropan-2-yl)oxymethyl]-1-propan-2-ylbenzimidazol-5-yl]methanamine
CID 115950378

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-pyridinyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine?
The IUPAC name of [2-(3-chloro-4-pyridinyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine (CID 66473098) is [2-(3-chloro-4-pyridinyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-(3-chloro-4-pyridinyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine?
The canonical SMILES for [2-(3-chloro-4-pyridinyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine is CC(C)n1c(-c2ccncc2Cl)nc2cc(CN)ccc21.
What is the InChIKey of [2-(3-chloro-4-pyridinyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine?
The InChIKey is BJWNVBWEZIOFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4/c1-10(2)21-15-4-3-11(8-18)7-14(15)20-16(21)12-5-6-19-9-13(12)17/h3-7,9-10H,8,18H2,1-2H3.
What are the key properties of [2-(3-chloro-4-pyridinyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine?
[2-(3-chloro-4-pyridinyl)-1-propan-2-ylbenzimidazol-5-yl]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 [2-(3-chloro-4-pyridinyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine is sourced from PubChem (CID 66473098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).