5-chloro-N-[4-[[3-(6-methoxy-2-methyl-3-pyridinyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide

C28H30ClN5O3 — CID 146172874

IUPAC5-chloro-N-[4-[[3-(6-methoxy-2-methyl-3-pyridinyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
SMILESCOc1ccc(-n2c(=O)n(CC3CCC(NC(=O)c4cc(Cl)cnc4C)CC3)c3ccccc32)c(C)n1
InChIInChI=1S/C28H30ClN5O3/c1-17-22(14-20(29)15-30-17)27(35)32-21-10-8-19(9-11-21)16-33-24-6-4-5-7-25(24)34(28(33)36)23-12-13-26(37-3)31-18(23)2/h4-7,12-15,19,21H,8-11,16H2,1-3H3,(H,32,35)
InChIKeyFDSKROPWVHONNO-UHFFFAOYSA-N
MW520.03 g/mol
LogP4.85
Rot. Bonds6

About 5-chloro-N-[4-[[3-(6-methoxy-2-methyl-3-pyridinyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide

5-chloro-N-[4-[[3-(6-methoxy-2-methyl-3-pyridinyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide (PubChem CID 146172874) has the molecular formula C28H30ClN5O3 and a molecular weight of 520.03 g/mol. Its IUPAC name is 5-chloro-N-[4-[[3-(6-methoxy-2-methyl-3-pyridinyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-[[3-(6-methoxy-2-methyl-3-pyridinyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
PubChem CID146172874
Molecular FormulaC28H30ClN5O3
Molecular Weight520.03 g/mol
Exact Mass519.20
IUPAC Name5-chloro-N-[4-[[3-(6-methoxy-2-methyl-3-pyridinyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
SMILESCOc1ccc(-n2c(=O)n(CC3CCC(NC(=O)c4cc(Cl)cnc4C)CC3)c3ccccc32)c(C)n1
InChIInChI=1S/C28H30ClN5O3/c1-17-22(14-20(29)15-30-17)27(35)32-21-10-8-19(9-11-21)16-33-24-6-4-5-7-25(24)34(28(33)36)23-12-13-26(37-3)31-18(23)2/h4-7,12-15,19,21H,8-11,16H2,1-3H3,(H,32,35)
InChIKeyFDSKROPWVHONNO-UHFFFAOYSA-N
XLogP4.85
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.03
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[[3-(6-methoxy-2-methyl-3-pyridinyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[4-[[3-(6-methoxy-2-methyl-3-pyridinyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide (CID 146172874) is 5-chloro-N-[4-[[3-(6-methoxy-2-methyl-3-pyridinyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-[[3-(6-methoxy-2-methyl-3-pyridinyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[4-[[3-(6-methoxy-2-methyl-3-pyridinyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide is COc1ccc(-n2c(=O)n(CC3CCC(NC(=O)c4cc(Cl)cnc4C)CC3)c3ccccc32)c(C)n1.
What is the InChIKey of 5-chloro-N-[4-[[3-(6-methoxy-2-methyl-3-pyridinyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The InChIKey is FDSKROPWVHONNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN5O3/c1-17-22(14-20(29)15-30-17)27(35)32-21-10-8-19(9-11-21)16-33-24-6-4-5-7-25(24)34(28(33)36)23-12-13-26(37-3)31-18(23)2/h4-7,12-15,19,21H,8-11,16H2,1-3H3,(H,32,35).
What are the key properties of 5-chloro-N-[4-[[3-(6-methoxy-2-methyl-3-pyridinyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
5-chloro-N-[4-[[3-(6-methoxy-2-methyl-3-pyridinyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide has a molecular weight of 520.03 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[[3-(6-methoxy-2-methyl-3-pyridinyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 146172874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).