N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

C22H23N5O — CID 70781192

IUPACN-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCC1CCC(c2nc3ccccc3[nH]2)CC1)c1ccc2nccn2c1
InChIInChI=1S/C22H23N5O/c28-22(17-9-10-20-23-11-12-27(20)14-17)24-13-15-5-7-16(8-6-15)21-25-18-3-1-2-4-19(18)26-21/h1-4,9-12,14-16H,5-8,13H2,(H,24,28)(H,25,26)
InChIKeyUDSVENFUXVUALQ-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.91
Rot. Bonds4

About N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 70781192) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID70781192
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC NameN-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCC1CCC(c2nc3ccccc3[nH]2)CC1)c1ccc2nccn2c1
InChIInChI=1S/C22H23N5O/c28-22(17-9-10-20-23-11-12-27(20)14-17)24-13-15-5-7-16(8-6-15)21-25-18-3-1-2-4-19(18)26-21/h1-4,9-12,14-16H,5-8,13H2,(H,24,28)(H,25,26)
InChIKeyUDSVENFUXVUALQ-UHFFFAOYSA-N
XLogP3.91
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 70781192) is N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is O=C(NCC1CCC(c2nc3ccccc3[nH]2)CC1)c1ccc2nccn2c1.
What is the InChIKey of N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is UDSVENFUXVUALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c28-22(17-9-10-20-23-11-12-27(20)14-17)24-13-15-5-7-16(8-6-15)21-25-18-3-1-2-4-19(18)26-21/h1-4,9-12,14-16H,5-8,13H2,(H,24,28)(H,25,26).
What are the key properties of N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 70781192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).