5-chloro-3-[(1-methylbenzimidazol-2-yl)methyl]pyridin-2-amine

C14H13ClN4 — CID 79750643

IUPAC5-chloro-3-[(1-methylbenzimidazol-2-yl)methyl]pyridin-2-amine
SMILESCn1c(Cc2cc(Cl)cnc2N)nc2ccccc21
InChIInChI=1S/C14H13ClN4/c1-19-12-5-3-2-4-11(12)18-13(19)7-9-6-10(15)8-17-14(9)16/h2-6,8H,7H2,1H3,(H2,16,17)
InChIKeyAANAPNBJYIFXFN-UHFFFAOYSA-N
MW272.74 g/mol
LogP2.79
Rot. Bonds2

About 5-chloro-3-[(1-methylbenzimidazol-2-yl)methyl]pyridin-2-amine

5-chloro-3-[(1-methylbenzimidazol-2-yl)methyl]pyridin-2-amine (PubChem CID 79750643) has the molecular formula C14H13ClN4 and a molecular weight of 272.74 g/mol. Its IUPAC name is 5-chloro-3-[(1-methylbenzimidazol-2-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-[(1-methylbenzimidazol-2-yl)methyl]pyridin-2-amine
PubChem CID79750643
Molecular FormulaC14H13ClN4
Molecular Weight272.74 g/mol
Exact Mass272.08
IUPAC Name5-chloro-3-[(1-methylbenzimidazol-2-yl)methyl]pyridin-2-amine
SMILESCn1c(Cc2cc(Cl)cnc2N)nc2ccccc21
InChIInChI=1S/C14H13ClN4/c1-19-12-5-3-2-4-11(12)18-13(19)7-9-6-10(15)8-17-14(9)16/h2-6,8H,7H2,1H3,(H2,16,17)
InChIKeyAANAPNBJYIFXFN-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(1-methylbenzimidazol-2-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-3-[(1-methylbenzimidazol-2-yl)methyl]pyridin-2-amine (CID 79750643) is 5-chloro-3-[(1-methylbenzimidazol-2-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-[(1-methylbenzimidazol-2-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-3-[(1-methylbenzimidazol-2-yl)methyl]pyridin-2-amine is Cn1c(Cc2cc(Cl)cnc2N)nc2ccccc21.
What is the InChIKey of 5-chloro-3-[(1-methylbenzimidazol-2-yl)methyl]pyridin-2-amine?
The InChIKey is AANAPNBJYIFXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4/c1-19-12-5-3-2-4-11(12)18-13(19)7-9-6-10(15)8-17-14(9)16/h2-6,8H,7H2,1H3,(H2,16,17).
What are the key properties of 5-chloro-3-[(1-methylbenzimidazol-2-yl)methyl]pyridin-2-amine?
5-chloro-3-[(1-methylbenzimidazol-2-yl)methyl]pyridin-2-amine has a molecular weight of 272.74 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(1-methylbenzimidazol-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 79750643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).