2-chloro-N-[2-(5-chloro-3-pyridinyl)-7-methyl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide

C27H23Cl2N7O — CID 122473244

About 2-chloro-N-[2-(5-chloro-3-pyridinyl)-7-methyl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide

2-chloro-N-[2-(5-chloro-3-pyridinyl)-7-methyl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide (PubChem CID 122473244) has the molecular formula C27H23Cl2N7O and a molecular weight of 532.44 g/mol. Its IUPAC name is 2-chloro-N-[2-(5-chloro-3-pyridinyl)-7-methyl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[2-(5-chloro-3-pyridinyl)-7-methyl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide
• PubChem CID: 122473244
• Molecular Formula: C27H23Cl2N7O
• Molecular Weight: 532.44 g/mol
• Exact Mass: 531.13
• IUPAC Name: 2-chloro-N-[2-(5-chloro-3-pyridinyl)-7-methyl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide
• SMILES: Cc1ccc2c(c1)nc1n2CC(NC(=O)c2ccc(-n3cnc(C)n3)cc2Cl)(c2cncc(Cl)c2)CC1
• InChI: InChI=1S/C27H23Cl2N7O/c1-16-3-6-24-23(9-16)32-25-7-8-27(14-35(24)25,18-10-19(28)13-30-12-18)33-26(37)21-5-4-20(11-22(21)29)36-15-31-17(2)34-36/h3-6,9-13,15H,7-8,14H2,1-2H3,(H,33,37)
• InChIKey: KBTZKTARNLHVKO-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 90.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.44
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(5-chloro-3-pyridinyl)-7-methyl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide?

The IUPAC name of 2-chloro-N-[2-(5-chloro-3-pyridinyl)-7-methyl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide (CID 122473244) is 2-chloro-N-[2-(5-chloro-3-pyridinyl)-7-methyl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide.

What is the SMILES notation for 2-chloro-N-[2-(5-chloro-3-pyridinyl)-7-methyl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide?

The canonical SMILES for 2-chloro-N-[2-(5-chloro-3-pyridinyl)-7-methyl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide is Cc1ccc2c(c1)nc1n2CC(NC(=O)c2ccc(-n3cnc(C)n3)cc2Cl)(c2cncc(Cl)c2)CC1.

What is the InChIKey of 2-chloro-N-[2-(5-chloro-3-pyridinyl)-7-methyl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide?

The InChIKey is KBTZKTARNLHVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23Cl2N7O/c1-16-3-6-24-23(9-16)32-25-7-8-27(14-35(24)25,18-10-19(28)13-30-12-18)33-26(37)21-5-4-20(11-22(21)29)36-15-31-17(2)34-36/h3-6,9-13,15H,7-8,14H2,1-2H3,(H,33,37).

What are the key properties of 2-chloro-N-[2-(5-chloro-3-pyridinyl)-7-methyl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide?

2-chloro-N-[2-(5-chloro-3-pyridinyl)-7-methyl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide has a molecular weight of 532.44 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[2-(5-chloro-3-pyridinyl)-7-methyl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 122473244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).