1-(6-aminopyrimidin-4-yl)-N-(2-chloro-6-methylphenyl)benzimidazol-2-amine

C18H15ClN6 — CID 15949237

IUPAC1-(6-aminopyrimidin-4-yl)-N-(2-chloro-6-methylphenyl)benzimidazol-2-amine
SMILESCc1cccc(Cl)c1Nc1nc2ccccc2n1-c1cc(N)ncn1
InChIInChI=1S/C18H15ClN6/c1-11-5-4-6-12(19)17(11)24-18-23-13-7-2-3-8-14(13)25(18)16-9-15(20)21-10-22-16/h2-10H,1H3,(H,23,24)(H2,20,21,22)
InChIKeyKCFYRZYFGXYNKV-UHFFFAOYSA-N
MW350.81 g/mol
LogP4.10
Rot. Bonds3

About 1-(6-aminopyrimidin-4-yl)-N-(2-chloro-6-methylphenyl)benzimidazol-2-amine

1-(6-aminopyrimidin-4-yl)-N-(2-chloro-6-methylphenyl)benzimidazol-2-amine (PubChem CID 15949237) has the molecular formula C18H15ClN6 and a molecular weight of 350.81 g/mol. Its IUPAC name is 1-(6-aminopyrimidin-4-yl)-N-(2-chloro-6-methylphenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-(6-aminopyrimidin-4-yl)-N-(2-chloro-6-methylphenyl)benzimidazol-2-amine
PubChem CID15949237
Molecular FormulaC18H15ClN6
Molecular Weight350.81 g/mol
Exact Mass350.10
IUPAC Name1-(6-aminopyrimidin-4-yl)-N-(2-chloro-6-methylphenyl)benzimidazol-2-amine
SMILESCc1cccc(Cl)c1Nc1nc2ccccc2n1-c1cc(N)ncn1
InChIInChI=1S/C18H15ClN6/c1-11-5-4-6-12(19)17(11)24-18-23-13-7-2-3-8-14(13)25(18)16-9-15(20)21-10-22-16/h2-10H,1H3,(H,23,24)(H2,20,21,22)
InChIKeyKCFYRZYFGXYNKV-UHFFFAOYSA-N
XLogP4.10
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-aminopyrimidin-4-yl)-N-(2-chloro-6-methylphenyl)benzimidazol-2-amine?
The IUPAC name of 1-(6-aminopyrimidin-4-yl)-N-(2-chloro-6-methylphenyl)benzimidazol-2-amine (CID 15949237) is 1-(6-aminopyrimidin-4-yl)-N-(2-chloro-6-methylphenyl)benzimidazol-2-amine.
What is the SMILES notation for 1-(6-aminopyrimidin-4-yl)-N-(2-chloro-6-methylphenyl)benzimidazol-2-amine?
The canonical SMILES for 1-(6-aminopyrimidin-4-yl)-N-(2-chloro-6-methylphenyl)benzimidazol-2-amine is Cc1cccc(Cl)c1Nc1nc2ccccc2n1-c1cc(N)ncn1.
What is the InChIKey of 1-(6-aminopyrimidin-4-yl)-N-(2-chloro-6-methylphenyl)benzimidazol-2-amine?
The InChIKey is KCFYRZYFGXYNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6/c1-11-5-4-6-12(19)17(11)24-18-23-13-7-2-3-8-14(13)25(18)16-9-15(20)21-10-22-16/h2-10H,1H3,(H,23,24)(H2,20,21,22).
What are the key properties of 1-(6-aminopyrimidin-4-yl)-N-(2-chloro-6-methylphenyl)benzimidazol-2-amine?
1-(6-aminopyrimidin-4-yl)-N-(2-chloro-6-methylphenyl)benzimidazol-2-amine has a molecular weight of 350.81 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-aminopyrimidin-4-yl)-N-(2-chloro-6-methylphenyl)benzimidazol-2-amine is sourced from PubChem (CID 15949237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).