N-[1-[4-(1-cyanocyclohexyl)phenyl]ethyl]-2-(7-methylbenzimidazol-1-yl)acetamide

C25H28N4O — CID 143625155

IUPACN-[1-[4-(1-cyanocyclohexyl)phenyl]ethyl]-2-(7-methylbenzimidazol-1-yl)acetamide
SMILESCc1cccc2ncn(CC(=O)NC(C)c3ccc(C4(C#N)CCCCC4)cc3)c12
InChIInChI=1S/C25H28N4O/c1-18-7-6-8-22-24(18)29(17-27-22)15-23(30)28-19(2)20-9-11-21(12-10-20)25(16-26)13-4-3-5-14-25/h6-12,17,19H,3-5,13-15H2,1-2H3,(H,28,30)
InChIKeyXPIKZCNJAILVPI-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.95
Rot. Bonds5

About N-[1-[4-(1-cyanocyclohexyl)phenyl]ethyl]-2-(7-methylbenzimidazol-1-yl)acetamide

N-[1-[4-(1-cyanocyclohexyl)phenyl]ethyl]-2-(7-methylbenzimidazol-1-yl)acetamide (PubChem CID 143625155) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is N-[1-[4-(1-cyanocyclohexyl)phenyl]ethyl]-2-(7-methylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-[4-(1-cyanocyclohexyl)phenyl]ethyl]-2-(7-methylbenzimidazol-1-yl)acetamide
PubChem CID143625155
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC NameN-[1-[4-(1-cyanocyclohexyl)phenyl]ethyl]-2-(7-methylbenzimidazol-1-yl)acetamide
SMILESCc1cccc2ncn(CC(=O)NC(C)c3ccc(C4(C#N)CCCCC4)cc3)c12
InChIInChI=1S/C25H28N4O/c1-18-7-6-8-22-24(18)29(17-27-22)15-23(30)28-19(2)20-9-11-21(12-10-20)25(16-26)13-4-3-5-14-25/h6-12,17,19H,3-5,13-15H2,1-2H3,(H,28,30)
InChIKeyXPIKZCNJAILVPI-UHFFFAOYSA-N
XLogP4.95
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-methylbenzimidazol-1-yl)acetic acid
CID 11735640
N-[1-(4-tert-butylphenyl)ethyl]-2-(7-cyanobenzimidazol-1-yl)acetamide;N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(6,7-difluorobenzimidazol-1-yl)acetamide
CID 69064572
N-[(1R)-1-[4-(2-cyanopropan-2-yl)phenyl]ethyl]-2-(6,7-difluorobenzimidazol-1-yl)acetamide
CID 66649313
2-(7-acetylbenzimidazol-1-yl)-N-[1-[4-(1,3-difluoropropan-2-yloxy)phenyl]ethyl]acetamide
CID 23634328
2-(5,6-dimethylbenzimidazol-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 51865491
2-(7-chloro-6-fluorobenzimidazol-1-yl)-N-[(1S)-1-[4-(2-cyanopropan-2-yl)phenyl]ethyl]acetamide
CID 24850475
2-(7-cyanobenzimidazol-1-yl)-N-[(1S)-1-[4-(2-cyanopropan-2-yl)-3-fluorophenyl]ethyl]acetamide
CID 24850433
N-[1-[4-[(2S)-but-3-yn-2-yl]oxyphenyl]ethyl]-2-(7-nitrobenzimidazol-1-yl)acetamide
CID 23633529
N-[1-[4-[chloro(difluoro)methyl]phenyl]ethyl]-2-(7-nitrobenzimidazol-1-yl)acetamide
CID 23633531
N-[(1S)-1-[4-[(2S)-butan-2-yl]oxyphenyl]ethyl]-2-(7-nitrobenzimidazol-1-yl)acetamide
CID 67499638
2-(7-nitrobenzimidazol-1-yl)-N-[1-(6-propan-2-yloxy-3-pyridinyl)ethyl]acetamide
CID 23633746
N-(1-cyanocycloheptyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 60512610

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(1-cyanocyclohexyl)phenyl]ethyl]-2-(7-methylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-[1-[4-(1-cyanocyclohexyl)phenyl]ethyl]-2-(7-methylbenzimidazol-1-yl)acetamide (CID 143625155) is N-[1-[4-(1-cyanocyclohexyl)phenyl]ethyl]-2-(7-methylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[1-[4-(1-cyanocyclohexyl)phenyl]ethyl]-2-(7-methylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[1-[4-(1-cyanocyclohexyl)phenyl]ethyl]-2-(7-methylbenzimidazol-1-yl)acetamide is Cc1cccc2ncn(CC(=O)NC(C)c3ccc(C4(C#N)CCCCC4)cc3)c12.
What is the InChIKey of N-[1-[4-(1-cyanocyclohexyl)phenyl]ethyl]-2-(7-methylbenzimidazol-1-yl)acetamide?
The InChIKey is XPIKZCNJAILVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-18-7-6-8-22-24(18)29(17-27-22)15-23(30)28-19(2)20-9-11-21(12-10-20)25(16-26)13-4-3-5-14-25/h6-12,17,19H,3-5,13-15H2,1-2H3,(H,28,30).
What are the key properties of N-[1-[4-(1-cyanocyclohexyl)phenyl]ethyl]-2-(7-methylbenzimidazol-1-yl)acetamide?
N-[1-[4-(1-cyanocyclohexyl)phenyl]ethyl]-2-(7-methylbenzimidazol-1-yl)acetamide has a molecular weight of 400.53 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(1-cyanocyclohexyl)phenyl]ethyl]-2-(7-methylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 143625155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).