4-[1-(4-benzylpiperazin-1-yl)cyclohexyl]benzimidazole-4-carboxamide

C25H31N5O — CID 141028582

IUPAC4-[1-(4-benzylpiperazin-1-yl)cyclohexyl]benzimidazole-4-carboxamide
SMILESNC(=O)C1(C2(N3CCN(Cc4ccccc4)CC3)CCCCC2)C=CC=C2N=CN=C21
InChIInChI=1S/C25H31N5O/c26-23(31)25(13-7-10-21-22(25)28-19-27-21)24(11-5-2-6-12-24)30-16-14-29(15-17-30)18-20-8-3-1-4-9-20/h1,3-4,7-10,13,19H,2,5-6,11-12,14-18H2,(H2,26,31)
InChIKeyLGEYHUGAORKKSP-UHFFFAOYSA-N
MW417.56 g/mol
LogP2.92
Rot. Bonds5

About 4-[1-(4-benzylpiperazin-1-yl)cyclohexyl]benzimidazole-4-carboxamide

4-[1-(4-benzylpiperazin-1-yl)cyclohexyl]benzimidazole-4-carboxamide (PubChem CID 141028582) has the molecular formula C25H31N5O and a molecular weight of 417.56 g/mol. Its IUPAC name is 4-[1-(4-benzylpiperazin-1-yl)cyclohexyl]benzimidazole-4-carboxamide.

Molecular Properties

Compound Name4-[1-(4-benzylpiperazin-1-yl)cyclohexyl]benzimidazole-4-carboxamide
PubChem CID141028582
Molecular FormulaC25H31N5O
Molecular Weight417.56 g/mol
Exact Mass417.25
IUPAC Name4-[1-(4-benzylpiperazin-1-yl)cyclohexyl]benzimidazole-4-carboxamide
SMILESNC(=O)C1(C2(N3CCN(Cc4ccccc4)CC3)CCCCC2)C=CC=C2N=CN=C21
InChIInChI=1S/C25H31N5O/c26-23(31)25(13-7-10-21-22(25)28-19-27-21)24(11-5-2-6-12-24)30-16-14-29(15-17-30)18-20-8-3-1-4-9-20/h1,3-4,7-10,13,19H,2,5-6,11-12,14-18H2,(H2,26,31)
InChIKeyLGEYHUGAORKKSP-UHFFFAOYSA-N
XLogP2.92
TPSA74.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-benzylpiperazin-1-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 22314798
4-[4-(2-benzylpiperazin-1-yl)phenyl]benzimidazole-4-carboxamide
CID 142651420
1-benzyl-4-ethenylpiperidine-4-carboxamide
CID 23109456
1-[2-(4-benzylpiperazin-1-yl)ethyl]cyclohexan-1-ol
CID 18430919
[1-(4-benzylpiperazin-1-yl)cyclopropyl]methanol
CID 126508832
2-(4-benzylpiperazin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 111445977
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
3-amino-1-benzylpiperidine-3-carboxamide
CID 60795458
methyl 1-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylate
CID 164519909
1-benzyl-4-((1,2,3,4,5,6-13C6)cyclohexatrienylamino)piperidine-4-carboxamide
CID 45040221
(4-benzylpiperazin-1-yl)-(1-pyrrol-1-ylcyclohexyl)methanone
CID 46328243
1-benzylazepane
CID 10954328

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-benzylpiperazin-1-yl)cyclohexyl]benzimidazole-4-carboxamide?
The IUPAC name of 4-[1-(4-benzylpiperazin-1-yl)cyclohexyl]benzimidazole-4-carboxamide (CID 141028582) is 4-[1-(4-benzylpiperazin-1-yl)cyclohexyl]benzimidazole-4-carboxamide.
What is the SMILES notation for 4-[1-(4-benzylpiperazin-1-yl)cyclohexyl]benzimidazole-4-carboxamide?
The canonical SMILES for 4-[1-(4-benzylpiperazin-1-yl)cyclohexyl]benzimidazole-4-carboxamide is NC(=O)C1(C2(N3CCN(Cc4ccccc4)CC3)CCCCC2)C=CC=C2N=CN=C21.
What is the InChIKey of 4-[1-(4-benzylpiperazin-1-yl)cyclohexyl]benzimidazole-4-carboxamide?
The InChIKey is LGEYHUGAORKKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O/c26-23(31)25(13-7-10-21-22(25)28-19-27-21)24(11-5-2-6-12-24)30-16-14-29(15-17-30)18-20-8-3-1-4-9-20/h1,3-4,7-10,13,19H,2,5-6,11-12,14-18H2,(H2,26,31).
What are the key properties of 4-[1-(4-benzylpiperazin-1-yl)cyclohexyl]benzimidazole-4-carboxamide?
4-[1-(4-benzylpiperazin-1-yl)cyclohexyl]benzimidazole-4-carboxamide has a molecular weight of 417.56 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-benzylpiperazin-1-yl)cyclohexyl]benzimidazole-4-carboxamide is sourced from PubChem (CID 141028582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).