5-[4-[1-(4-cyanobutyl)benzimidazole-2-carbonyl]piperidin-1-yl]pentanenitrile

C23H29N5O — CID 18946515

IUPAC5-[4-[1-(4-cyanobutyl)benzimidazole-2-carbonyl]piperidin-1-yl]pentanenitrile
SMILESN#CCCCCN1CCC(C(=O)c2nc3ccccc3n2CCCCC#N)CC1
InChIInChI=1S/C23H29N5O/c24-13-5-1-7-15-27-17-11-19(12-18-27)22(29)23-26-20-9-3-4-10-21(20)28(23)16-8-2-6-14-25/h3-4,9-10,19H,1-2,5-8,11-12,15-18H2
InChIKeyGZLPAMIHERNMAK-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.32
Rot. Bonds10

About 5-[4-[1-(4-cyanobutyl)benzimidazole-2-carbonyl]piperidin-1-yl]pentanenitrile

5-[4-[1-(4-cyanobutyl)benzimidazole-2-carbonyl]piperidin-1-yl]pentanenitrile (PubChem CID 18946515) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 5-[4-[1-(4-cyanobutyl)benzimidazole-2-carbonyl]piperidin-1-yl]pentanenitrile.

Molecular Properties

Compound Name5-[4-[1-(4-cyanobutyl)benzimidazole-2-carbonyl]piperidin-1-yl]pentanenitrile
PubChem CID18946515
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name5-[4-[1-(4-cyanobutyl)benzimidazole-2-carbonyl]piperidin-1-yl]pentanenitrile
SMILESN#CCCCCN1CCC(C(=O)c2nc3ccccc3n2CCCCC#N)CC1
InChIInChI=1S/C23H29N5O/c24-13-5-1-7-15-27-17-11-19(12-18-27)22(29)23-26-20-9-3-4-10-21(20)28(23)16-8-2-6-14-25/h3-4,9-10,19H,1-2,5-8,11-12,15-18H2
InChIKeyGZLPAMIHERNMAK-UHFFFAOYSA-N
XLogP4.32
TPSA85.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[2-[1-(4-cyanobutyl)piperidine-4-carbonyl]benzimidazol-1-yl]-2-methoxypropanoate
CID 18946516
2-[2-[4-[1-(2-ethoxyethyl)benzimidazole-2-carbonyl]piperidin-1-yl]ethoxy]acetic acid
CID 131718829
4-[3-[2-(piperidine-4-carbonyl)benzimidazol-1-yl]propyl]benzoic acid
CID 140992645
1-(4-tert-butylphenyl)-4-[4-[1-[(4-fluorophenyl)methyl]benzimidazole-2-carbonyl]piperidin-1-yl]butan-1-one
CID 19800499
4-(2-phenylbenzimidazol-1-yl)butanenitrile
CID 82150408
4-(2-methylbenzimidazol-1-yl)butanenitrile
CID 24690449
3-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile
CID 82311578
1-(4-cyanobutyl)-N-methylpiperidine-4-carboxamide
CID 55136373
3-[2-(trichloromethyl)benzimidazol-1-yl]propanenitrile
CID 82144926
1,3-dibenzyl-3-[2-[4-[1-(pyridin-2-ylmethyl)benzimidazole-2-carbonyl]piperidin-1-yl]ethyl]piperidin-2-one
CID 18333576
3-[2-[4-[1-(2-ethoxyethyl)benzimidazole-2-carbonyl]piperidin-1-yl]ethyl]-3-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-one
CID 18333239
(4-methoxyphenyl)-[1-[(2-methylbenzimidazol-1-yl)methyl]piperidin-4-yl]methanone
CID 17467831

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-(4-cyanobutyl)benzimidazole-2-carbonyl]piperidin-1-yl]pentanenitrile?
The IUPAC name of 5-[4-[1-(4-cyanobutyl)benzimidazole-2-carbonyl]piperidin-1-yl]pentanenitrile (CID 18946515) is 5-[4-[1-(4-cyanobutyl)benzimidazole-2-carbonyl]piperidin-1-yl]pentanenitrile.
What is the SMILES notation for 5-[4-[1-(4-cyanobutyl)benzimidazole-2-carbonyl]piperidin-1-yl]pentanenitrile?
The canonical SMILES for 5-[4-[1-(4-cyanobutyl)benzimidazole-2-carbonyl]piperidin-1-yl]pentanenitrile is N#CCCCCN1CCC(C(=O)c2nc3ccccc3n2CCCCC#N)CC1.
What is the InChIKey of 5-[4-[1-(4-cyanobutyl)benzimidazole-2-carbonyl]piperidin-1-yl]pentanenitrile?
The InChIKey is GZLPAMIHERNMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c24-13-5-1-7-15-27-17-11-19(12-18-27)22(29)23-26-20-9-3-4-10-21(20)28(23)16-8-2-6-14-25/h3-4,9-10,19H,1-2,5-8,11-12,15-18H2.
What are the key properties of 5-[4-[1-(4-cyanobutyl)benzimidazole-2-carbonyl]piperidin-1-yl]pentanenitrile?
5-[4-[1-(4-cyanobutyl)benzimidazole-2-carbonyl]piperidin-1-yl]pentanenitrile has a molecular weight of 391.52 g/mol, XLogP of 4.32, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-(4-cyanobutyl)benzimidazole-2-carbonyl]piperidin-1-yl]pentanenitrile is sourced from PubChem (CID 18946515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).