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

C23H27ClN4O2 — CID 53341018

IUPAC5-chloro-N-[4-[(3-ethyl-2-oxobenzimidazol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
SMILESCCn1c(=O)n(CC2CCC(NC(=O)c3cc(Cl)cnc3C)CC2)c2ccccc21
InChIInChI=1S/C23H27ClN4O2/c1-3-27-20-6-4-5-7-21(20)28(23(27)30)14-16-8-10-18(11-9-16)26-22(29)19-12-17(24)13-25-15(19)2/h4-7,12-13,16,18H,3,8-11,14H2,1-2H3,(H,26,29)
InChIKeyFFMNQLRIMQJKNK-UHFFFAOYSA-N
MW426.95 g/mol
LogP4.17
Rot. Bonds5

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

5-chloro-N-[4-[(3-ethyl-2-oxobenzimidazol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide (PubChem CID 53341018) has the molecular formula C23H27ClN4O2 and a molecular weight of 426.95 g/mol. Its IUPAC name is 5-chloro-N-[4-[(3-ethyl-2-oxobenzimidazol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-[(3-ethyl-2-oxobenzimidazol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
PubChem CID53341018
Molecular FormulaC23H27ClN4O2
Molecular Weight426.95 g/mol
Exact Mass426.18
IUPAC Name5-chloro-N-[4-[(3-ethyl-2-oxobenzimidazol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
SMILESCCn1c(=O)n(CC2CCC(NC(=O)c3cc(Cl)cnc3C)CC2)c2ccccc21
InChIInChI=1S/C23H27ClN4O2/c1-3-27-20-6-4-5-7-21(20)28(23(27)30)14-16-8-10-18(11-9-16)26-22(29)19-12-17(24)13-25-15(19)2/h4-7,12-13,16,18H,3,8-11,14H2,1-2H3,(H,26,29)
InChIKeyFFMNQLRIMQJKNK-UHFFFAOYSA-N
XLogP4.17
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[(3-ethyl-2-oxobenzimidazol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[4-[(3-ethyl-2-oxobenzimidazol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide (CID 53341018) is 5-chloro-N-[4-[(3-ethyl-2-oxobenzimidazol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-[(3-ethyl-2-oxobenzimidazol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[4-[(3-ethyl-2-oxobenzimidazol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide is CCn1c(=O)n(CC2CCC(NC(=O)c3cc(Cl)cnc3C)CC2)c2ccccc21.
What is the InChIKey of 5-chloro-N-[4-[(3-ethyl-2-oxobenzimidazol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The InChIKey is FFMNQLRIMQJKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O2/c1-3-27-20-6-4-5-7-21(20)28(23(27)30)14-16-8-10-18(11-9-16)26-22(29)19-12-17(24)13-25-15(19)2/h4-7,12-13,16,18H,3,8-11,14H2,1-2H3,(H,26,29).
What are the key properties of 5-chloro-N-[4-[(3-ethyl-2-oxobenzimidazol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
5-chloro-N-[4-[(3-ethyl-2-oxobenzimidazol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide has a molecular weight of 426.95 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[(3-ethyl-2-oxobenzimidazol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 53341018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).