5-chloro-2-methyl-N-[4-[[3-(2-methylpropyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide

C25H31ClN4O2 — CID 53341019

IUPAC5-chloro-2-methyl-N-[4-[[3-(2-methylpropyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
SMILESCc1ncc(Cl)cc1C(=O)NC1CCC(Cn2c(=O)n(CC(C)C)c3ccccc32)CC1
InChIInChI=1S/C25H31ClN4O2/c1-16(2)14-29-22-6-4-5-7-23(22)30(25(29)32)15-18-8-10-20(11-9-18)28-24(31)21-12-19(26)13-27-17(21)3/h4-7,12-13,16,18,20H,8-11,14-15H2,1-3H3,(H,28,31)
InChIKeyLSFVOPLRJHUUNQ-UHFFFAOYSA-N
MW455.00 g/mol
LogP4.80
Rot. Bonds6

About 5-chloro-2-methyl-N-[4-[[3-(2-methylpropyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide

5-chloro-2-methyl-N-[4-[[3-(2-methylpropyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide (PubChem CID 53341019) has the molecular formula C25H31ClN4O2 and a molecular weight of 455.00 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-[4-[[3-(2-methylpropyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-2-methyl-N-[4-[[3-(2-methylpropyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
PubChem CID53341019
Molecular FormulaC25H31ClN4O2
Molecular Weight455.00 g/mol
Exact Mass454.21
IUPAC Name5-chloro-2-methyl-N-[4-[[3-(2-methylpropyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
SMILESCc1ncc(Cl)cc1C(=O)NC1CCC(Cn2c(=O)n(CC(C)C)c3ccccc32)CC1
InChIInChI=1S/C25H31ClN4O2/c1-16(2)14-29-22-6-4-5-7-23(22)30(25(29)32)15-18-8-10-20(11-9-18)28-24(31)21-12-19(26)13-27-17(21)3/h4-7,12-13,16,18,20H,8-11,14-15H2,1-3H3,(H,28,31)
InChIKeyLSFVOPLRJHUUNQ-UHFFFAOYSA-N
XLogP4.80
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.00
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-[4-[[3-(2-methylpropyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-2-methyl-N-[4-[[3-(2-methylpropyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide (CID 53341019) is 5-chloro-2-methyl-N-[4-[[3-(2-methylpropyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-2-methyl-N-[4-[[3-(2-methylpropyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-2-methyl-N-[4-[[3-(2-methylpropyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide is Cc1ncc(Cl)cc1C(=O)NC1CCC(Cn2c(=O)n(CC(C)C)c3ccccc32)CC1.
What is the InChIKey of 5-chloro-2-methyl-N-[4-[[3-(2-methylpropyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?
The InChIKey is LSFVOPLRJHUUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN4O2/c1-16(2)14-29-22-6-4-5-7-23(22)30(25(29)32)15-18-8-10-20(11-9-18)28-24(31)21-12-19(26)13-27-17(21)3/h4-7,12-13,16,18,20H,8-11,14-15H2,1-3H3,(H,28,31).
What are the key properties of 5-chloro-2-methyl-N-[4-[[3-(2-methylpropyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?
5-chloro-2-methyl-N-[4-[[3-(2-methylpropyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 455.00 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-[4-[[3-(2-methylpropyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 53341019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).