6-chloro-1-[(4-methyl-3-pyridinyl)methyl]benzimidazol-2-amine

C14H13ClN4 — CID 114956852

IUPAC6-chloro-1-[(4-methyl-3-pyridinyl)methyl]benzimidazol-2-amine
SMILESCc1ccncc1Cn1c(N)nc2ccc(Cl)cc21
InChIInChI=1S/C14H13ClN4/c1-9-4-5-17-7-10(9)8-19-13-6-11(15)2-3-12(13)18-14(19)16/h2-7H,8H2,1H3,(H2,16,18)
InChIKeyHMICQVLTMNPATR-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.02
Rot. Bonds2

About 6-chloro-1-[(4-methyl-3-pyridinyl)methyl]benzimidazol-2-amine

6-chloro-1-[(4-methyl-3-pyridinyl)methyl]benzimidazol-2-amine (PubChem CID 114956852) has the molecular formula C14H13ClN4 and a molecular weight of 272.74 g/mol. Its IUPAC name is 6-chloro-1-[(4-methyl-3-pyridinyl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name6-chloro-1-[(4-methyl-3-pyridinyl)methyl]benzimidazol-2-amine
PubChem CID114956852
Molecular FormulaC14H13ClN4
Molecular Weight272.74 g/mol
Exact Mass272.08
IUPAC Name6-chloro-1-[(4-methyl-3-pyridinyl)methyl]benzimidazol-2-amine
SMILESCc1ccncc1Cn1c(N)nc2ccc(Cl)cc21
InChIInChI=1S/C14H13ClN4/c1-9-4-5-17-7-10(9)8-19-13-6-11(15)2-3-12(13)18-14(19)16/h2-7H,8H2,1H3,(H2,16,18)
InChIKeyHMICQVLTMNPATR-UHFFFAOYSA-N
XLogP3.02
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-(chloromethyl)-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole
CID 114701318
6-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine
CID 115470703
6-chloro-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine
CID 106375087
6-chloro-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine
CID 115470581
6-chloro-1-[(5-chlorothiophen-2-yl)methyl]benzimidazol-2-amine
CID 115470651
1-(2-amino-6-chlorobenzimidazol-1-yl)-2-methylpropan-2-ol
CID 127053654
2-(2-amino-6-chlorobenzimidazol-1-yl)acetic acid
CID 84735746
5-chloro-2-(1-chloroethyl)-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole
CID 114701310
7-chloro-1-[(3-methyl-4-pyridinyl)methyl]benzimidazol-2-amine
CID 114701188
6-chloro-1-[2-[methyl(propan-2-yl)amino]ethyl]benzimidazol-2-amine
CID 115470600
6-chloro-1-(3-phenoxypropyl)benzimidazol-2-amine
CID 115470592
1-[(4-methyl-3-pyridinyl)methyl]tetrazol-5-amine
CID 114957830

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(4-methyl-3-pyridinyl)methyl]benzimidazol-2-amine?
The IUPAC name of 6-chloro-1-[(4-methyl-3-pyridinyl)methyl]benzimidazol-2-amine (CID 114956852) is 6-chloro-1-[(4-methyl-3-pyridinyl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 6-chloro-1-[(4-methyl-3-pyridinyl)methyl]benzimidazol-2-amine?
The canonical SMILES for 6-chloro-1-[(4-methyl-3-pyridinyl)methyl]benzimidazol-2-amine is Cc1ccncc1Cn1c(N)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-[(4-methyl-3-pyridinyl)methyl]benzimidazol-2-amine?
The InChIKey is HMICQVLTMNPATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4/c1-9-4-5-17-7-10(9)8-19-13-6-11(15)2-3-12(13)18-14(19)16/h2-7H,8H2,1H3,(H2,16,18).
What are the key properties of 6-chloro-1-[(4-methyl-3-pyridinyl)methyl]benzimidazol-2-amine?
6-chloro-1-[(4-methyl-3-pyridinyl)methyl]benzimidazol-2-amine has a molecular weight of 272.74 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(4-methyl-3-pyridinyl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 114956852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).