5-[(4-chlorophenyl)methyl]-N-cyclohexyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide

C20H25ClN4O — CID 74507887

IUPAC5-[(4-chlorophenyl)methyl]-N-cyclohexyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide
SMILESO=C(NC1CCCCC1)C1Cc2nc[nH]c2CN1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H25ClN4O/c21-15-8-6-14(7-9-15)11-25-12-18-17(22-13-23-18)10-19(25)20(26)24-16-4-2-1-3-5-16/h6-9,13,16,19H,1-5,10-12H2,(H,22,23)(H,24,26)
InChIKeyVQRBSPSSLSHRJB-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.44
Rot. Bonds4

About 5-[(4-chlorophenyl)methyl]-N-cyclohexyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide

5-[(4-chlorophenyl)methyl]-N-cyclohexyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 74507887) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-N-cyclohexyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-N-cyclohexyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide
PubChem CID74507887
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC Name5-[(4-chlorophenyl)methyl]-N-cyclohexyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide
SMILESO=C(NC1CCCCC1)C1Cc2nc[nH]c2CN1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H25ClN4O/c21-15-8-6-14(7-9-15)11-25-12-18-17(22-13-23-18)10-19(25)20(26)24-16-4-2-1-3-5-16/h6-9,13,16,19H,1-5,10-12H2,(H,22,23)(H,24,26)
InChIKeyVQRBSPSSLSHRJB-UHFFFAOYSA-N
XLogP3.44
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-N-cyclohexyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-N-cyclohexyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide (CID 74507887) is 5-[(4-chlorophenyl)methyl]-N-cyclohexyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-N-cyclohexyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-N-cyclohexyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide is O=C(NC1CCCCC1)C1Cc2nc[nH]c2CN1Cc1ccc(Cl)cc1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-N-cyclohexyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is VQRBSPSSLSHRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O/c21-15-8-6-14(7-9-15)11-25-12-18-17(22-13-23-18)10-19(25)20(26)24-16-4-2-1-3-5-16/h6-9,13,16,19H,1-5,10-12H2,(H,22,23)(H,24,26).
What are the key properties of 5-[(4-chlorophenyl)methyl]-N-cyclohexyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide?
5-[(4-chlorophenyl)methyl]-N-cyclohexyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 372.90 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-N-cyclohexyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 74507887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).