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

C14H13ClN4 — CID 114701188

IUPAC7-chloro-1-[(3-methyl-4-pyridinyl)methyl]benzimidazol-2-amine
SMILESCc1cnccc1Cn1c(N)nc2cccc(Cl)c21
InChIInChI=1S/C14H13ClN4/c1-9-7-17-6-5-10(9)8-19-13-11(15)3-2-4-12(13)18-14(19)16/h2-7H,8H2,1H3,(H2,16,18)
InChIKeyMJMJYNSRZADUNF-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.02
Rot. Bonds2

About 7-chloro-1-[(3-methyl-4-pyridinyl)methyl]benzimidazol-2-amine

7-chloro-1-[(3-methyl-4-pyridinyl)methyl]benzimidazol-2-amine (PubChem CID 114701188) has the molecular formula C14H13ClN4 and a molecular weight of 272.74 g/mol. Its IUPAC name is 7-chloro-1-[(3-methyl-4-pyridinyl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name7-chloro-1-[(3-methyl-4-pyridinyl)methyl]benzimidazol-2-amine
PubChem CID114701188
Molecular FormulaC14H13ClN4
Molecular Weight272.74 g/mol
Exact Mass272.08
IUPAC Name7-chloro-1-[(3-methyl-4-pyridinyl)methyl]benzimidazol-2-amine
SMILESCc1cnccc1Cn1c(N)nc2cccc(Cl)c21
InChIInChI=1S/C14H13ClN4/c1-9-7-17-6-5-10(9)8-19-13-11(15)3-2-4-12(13)18-14(19)16/h2-7H,8H2,1H3,(H2,16,18)
InChIKeyMJMJYNSRZADUNF-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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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-[(3-methyl-4-pyridinyl)methyl]benzimidazol-2-amine?
The IUPAC name of 7-chloro-1-[(3-methyl-4-pyridinyl)methyl]benzimidazol-2-amine (CID 114701188) is 7-chloro-1-[(3-methyl-4-pyridinyl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 7-chloro-1-[(3-methyl-4-pyridinyl)methyl]benzimidazol-2-amine?
The canonical SMILES for 7-chloro-1-[(3-methyl-4-pyridinyl)methyl]benzimidazol-2-amine is Cc1cnccc1Cn1c(N)nc2cccc(Cl)c21.
What is the InChIKey of 7-chloro-1-[(3-methyl-4-pyridinyl)methyl]benzimidazol-2-amine?
The InChIKey is MJMJYNSRZADUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4/c1-9-7-17-6-5-10(9)8-19-13-11(15)3-2-4-12(13)18-14(19)16/h2-7H,8H2,1H3,(H2,16,18).
What are the key properties of 7-chloro-1-[(3-methyl-4-pyridinyl)methyl]benzimidazol-2-amine?
7-chloro-1-[(3-methyl-4-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 7-chloro-1-[(3-methyl-4-pyridinyl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 114701188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).