3-chloro-5-[1-(2-methylpropyl)benzimidazol-2-yl]-N-(6-methyl-3-pyridinyl)pyridin-2-amine

C22H22ClN5 — CID 53325366

IUPAC3-chloro-5-[1-(2-methylpropyl)benzimidazol-2-yl]-N-(6-methyl-3-pyridinyl)pyridin-2-amine
SMILESCc1ccc(Nc2ncc(-c3nc4ccccc4n3CC(C)C)cc2Cl)cn1
InChIInChI=1S/C22H22ClN5/c1-14(2)13-28-20-7-5-4-6-19(20)27-22(28)16-10-18(23)21(25-11-16)26-17-9-8-15(3)24-12-17/h4-12,14H,13H2,1-3H3,(H,25,26)
InChIKeyWGZWDHMUVIPPOA-UHFFFAOYSA-N
MW391.91 g/mol
LogP5.85
Rot. Bonds5

About 3-chloro-5-[1-(2-methylpropyl)benzimidazol-2-yl]-N-(6-methyl-3-pyridinyl)pyridin-2-amine

3-chloro-5-[1-(2-methylpropyl)benzimidazol-2-yl]-N-(6-methyl-3-pyridinyl)pyridin-2-amine (PubChem CID 53325366) has the molecular formula C22H22ClN5 and a molecular weight of 391.91 g/mol. Its IUPAC name is 3-chloro-5-[1-(2-methylpropyl)benzimidazol-2-yl]-N-(6-methyl-3-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-[1-(2-methylpropyl)benzimidazol-2-yl]-N-(6-methyl-3-pyridinyl)pyridin-2-amine
PubChem CID53325366
Molecular FormulaC22H22ClN5
Molecular Weight391.91 g/mol
Exact Mass391.16
IUPAC Name3-chloro-5-[1-(2-methylpropyl)benzimidazol-2-yl]-N-(6-methyl-3-pyridinyl)pyridin-2-amine
SMILESCc1ccc(Nc2ncc(-c3nc4ccccc4n3CC(C)C)cc2Cl)cn1
InChIInChI=1S/C22H22ClN5/c1-14(2)13-28-20-7-5-4-6-19(20)27-22(28)16-10-18(23)21(25-11-16)26-17-9-8-15(3)24-12-17/h4-12,14H,13H2,1-3H3,(H,25,26)
InChIKeyWGZWDHMUVIPPOA-UHFFFAOYSA-N
XLogP5.85
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.91
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[1-(2-methylpropyl)benzimidazol-2-yl]-N-(6-methyl-3-pyridinyl)pyridin-2-amine?
The IUPAC name of 3-chloro-5-[1-(2-methylpropyl)benzimidazol-2-yl]-N-(6-methyl-3-pyridinyl)pyridin-2-amine (CID 53325366) is 3-chloro-5-[1-(2-methylpropyl)benzimidazol-2-yl]-N-(6-methyl-3-pyridinyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-5-[1-(2-methylpropyl)benzimidazol-2-yl]-N-(6-methyl-3-pyridinyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-5-[1-(2-methylpropyl)benzimidazol-2-yl]-N-(6-methyl-3-pyridinyl)pyridin-2-amine is Cc1ccc(Nc2ncc(-c3nc4ccccc4n3CC(C)C)cc2Cl)cn1.
What is the InChIKey of 3-chloro-5-[1-(2-methylpropyl)benzimidazol-2-yl]-N-(6-methyl-3-pyridinyl)pyridin-2-amine?
The InChIKey is WGZWDHMUVIPPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5/c1-14(2)13-28-20-7-5-4-6-19(20)27-22(28)16-10-18(23)21(25-11-16)26-17-9-8-15(3)24-12-17/h4-12,14H,13H2,1-3H3,(H,25,26).
What are the key properties of 3-chloro-5-[1-(2-methylpropyl)benzimidazol-2-yl]-N-(6-methyl-3-pyridinyl)pyridin-2-amine?
3-chloro-5-[1-(2-methylpropyl)benzimidazol-2-yl]-N-(6-methyl-3-pyridinyl)pyridin-2-amine has a molecular weight of 391.91 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[1-(2-methylpropyl)benzimidazol-2-yl]-N-(6-methyl-3-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 53325366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).