2-(1H-benzimidazol-2-yl)-4-benzyl-N-cyclohexylpiperazine-1-carboxamide

C25H31N5O — CID 44783424

IUPAC2-(1H-benzimidazol-2-yl)-4-benzyl-N-cyclohexylpiperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(Cc2ccccc2)CC1c1nc2ccccc2[nH]1
InChIInChI=1S/C25H31N5O/c31-25(26-20-11-5-2-6-12-20)30-16-15-29(17-19-9-3-1-4-10-19)18-23(30)24-27-21-13-7-8-14-22(21)28-24/h1,3-4,7-10,13-14,20,23H,2,5-6,11-12,15-18H2,(H,26,31)(H,27,28)
InChIKeyZZDYNDLROMFWDH-UHFFFAOYSA-N
MW417.56 g/mol
LogP4.46
Rot. Bonds4

About 2-(1H-benzimidazol-2-yl)-4-benzyl-N-cyclohexylpiperazine-1-carboxamide

2-(1H-benzimidazol-2-yl)-4-benzyl-N-cyclohexylpiperazine-1-carboxamide (PubChem CID 44783424) has the molecular formula C25H31N5O and a molecular weight of 417.56 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-4-benzyl-N-cyclohexylpiperazine-1-carboxamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-4-benzyl-N-cyclohexylpiperazine-1-carboxamide
PubChem CID44783424
Molecular FormulaC25H31N5O
Molecular Weight417.56 g/mol
Exact Mass417.25
IUPAC Name2-(1H-benzimidazol-2-yl)-4-benzyl-N-cyclohexylpiperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(Cc2ccccc2)CC1c1nc2ccccc2[nH]1
InChIInChI=1S/C25H31N5O/c31-25(26-20-11-5-2-6-12-20)30-16-15-29(17-19-9-3-1-4-10-19)18-23(30)24-27-21-13-7-8-14-22(21)28-24/h1,3-4,7-10,13-14,20,23H,2,5-6,11-12,15-18H2,(H,26,31)(H,27,28)
InChIKeyZZDYNDLROMFWDH-UHFFFAOYSA-N
XLogP4.46
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-cyclohexylacetamide
CID 16810436
N-[3-(aminomethyl)cyclopentyl]-2-(1H-benzimidazol-2-yl)piperidine-1-carboxamide
CID 128834600
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-cyclopentylacetamide
CID 16810435
1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-cyclopentylurea;hydrochloride
CID 67266678
4-[[3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 75131931
2-(1H-benzimidazol-2-yl)-N-[(2S,3R)-2-ethyloxolan-3-yl]piperidine-1-carboxamide
CID 128697477
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
3-(1H-benzimidazol-2-yl)-N-benzylpiperidine-1-carboxamide
CID 42934572
N-[2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 25405874
N-[2-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 25405873
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95807203
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-4-benzyl-N-cyclohexylpiperazine-1-carboxamide?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-4-benzyl-N-cyclohexylpiperazine-1-carboxamide (CID 44783424) is 2-(1H-benzimidazol-2-yl)-4-benzyl-N-cyclohexylpiperazine-1-carboxamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-4-benzyl-N-cyclohexylpiperazine-1-carboxamide?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-4-benzyl-N-cyclohexylpiperazine-1-carboxamide is O=C(NC1CCCCC1)N1CCN(Cc2ccccc2)CC1c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-4-benzyl-N-cyclohexylpiperazine-1-carboxamide?
The InChIKey is ZZDYNDLROMFWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O/c31-25(26-20-11-5-2-6-12-20)30-16-15-29(17-19-9-3-1-4-10-19)18-23(30)24-27-21-13-7-8-14-22(21)28-24/h1,3-4,7-10,13-14,20,23H,2,5-6,11-12,15-18H2,(H,26,31)(H,27,28).
What are the key properties of 2-(1H-benzimidazol-2-yl)-4-benzyl-N-cyclohexylpiperazine-1-carboxamide?
2-(1H-benzimidazol-2-yl)-4-benzyl-N-cyclohexylpiperazine-1-carboxamide has a molecular weight of 417.56 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-4-benzyl-N-cyclohexylpiperazine-1-carboxamide is sourced from PubChem (CID 44783424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).