N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide

C22H26N4O2 — CID 17244499

IUPACN-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide
SMILESCn1c(CCn2ccccc2=O)nc2cc(NC(=O)C3CCCCC3)ccc21
InChIInChI=1S/C22H26N4O2/c1-25-19-11-10-17(23-22(28)16-7-3-2-4-8-16)15-18(19)24-20(25)12-14-26-13-6-5-9-21(26)27/h5-6,9-11,13,15-16H,2-4,7-8,12,14H2,1H3,(H,23,28)
InChIKeyBKVCDVFOUBQARG-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.50
Rot. Bonds5

About N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide

N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide (PubChem CID 17244499) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide
PubChem CID17244499
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide
SMILESCn1c(CCn2ccccc2=O)nc2cc(NC(=O)C3CCCCC3)ccc21
InChIInChI=1S/C22H26N4O2/c1-25-19-11-10-17(23-22(28)16-7-3-2-4-8-16)15-18(19)24-20(25)12-14-26-13-6-5-9-21(26)27/h5-6,9-11,13,15-16H,2-4,7-8,12,14H2,1H3,(H,23,28)
InChIKeyBKVCDVFOUBQARG-UHFFFAOYSA-N
XLogP3.50
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-methyl-2-[2-(2-methylimidazol-1-yl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 17218632
N-[1-methyl-2-[2-(2-oxopiperidin-1-yl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 17218678
N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]pentanamide
CID 17244491
N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 23611154
N-[2-[2-(cyclopentanecarbonylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide
CID 46270360
N-[2-(5-acetamido-1-methylbenzimidazol-2-yl)ethyl]cyclopentanecarboxamide
CID 46270354
N-[2-(indol-1-ylmethyl)-1-methylbenzimidazol-5-yl]cyclopropanecarboxamide
CID 39047383
N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 23611214
4-methyl-N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]benzenesulfonamide
CID 17244510
N-(1,2-dimethylbenzimidazol-5-yl)cyclobutanecarboxamide
CID 110779226
4-chloro-N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]benzenesulfonamide
CID 17218638
N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide
CID 4889006

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide (CID 17244499) is N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide is Cn1c(CCn2ccccc2=O)nc2cc(NC(=O)C3CCCCC3)ccc21.
What is the InChIKey of N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide?
The InChIKey is BKVCDVFOUBQARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-25-19-11-10-17(23-22(28)16-7-3-2-4-8-16)15-18(19)24-20(25)12-14-26-13-6-5-9-21(26)27/h5-6,9-11,13,15-16H,2-4,7-8,12,14H2,1H3,(H,23,28).
What are the key properties of N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide?
N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide is sourced from PubChem (CID 17244499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).