2-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide

C18H25N5O — CID 18428278

IUPAC2-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(N3CCN(C4CCCCC4)CC3)nc12
InChIInChI=1S/C18H25N5O/c19-17(24)14-7-4-8-15-16(14)21-18(20-15)23-11-9-22(10-12-23)13-5-2-1-3-6-13/h4,7-8,13H,1-3,5-6,9-12H2,(H2,19,24)(H,20,21)
InChIKeyNJBSLVRXMOGERY-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.12
Rot. Bonds3

About 2-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide

2-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 18428278) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide
PubChem CID18428278
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name2-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(N3CCN(C4CCCCC4)CC3)nc12
InChIInChI=1S/C18H25N5O/c19-17(24)14-7-4-8-15-16(14)21-18(20-15)23-11-9-22(10-12-23)13-5-2-1-3-6-13/h4,7-8,13H,1-3,5-6,9-12H2,(H2,19,24)(H,20,21)
InChIKeyNJBSLVRXMOGERY-UHFFFAOYSA-N
XLogP2.12
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide (CID 18428278) is 2-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c(N3CCN(C4CCCCC4)CC3)nc12.
What is the InChIKey of 2-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is NJBSLVRXMOGERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c19-17(24)14-7-4-8-15-16(14)21-18(20-15)23-11-9-22(10-12-23)13-5-2-1-3-6-13/h4,7-8,13H,1-3,5-6,9-12H2,(H2,19,24)(H,20,21).
What are the key properties of 2-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide?
2-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 18428278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).