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

C19H21N5O — CID 18428214

IUPAC2-(4-benzylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(N3CCN(Cc4ccccc4)CC3)nc12
InChIInChI=1S/C19H21N5O/c20-18(25)15-7-4-8-16-17(15)22-19(21-16)24-11-9-23(10-12-24)13-14-5-2-1-3-6-14/h1-8H,9-13H2,(H2,20,25)(H,21,22)
InChIKeyDCQHEIRDVXFSNC-UHFFFAOYSA-N
MW335.41 g/mol
LogP1.98
Rot. Bonds4

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

2-(4-benzylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 18428214) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide
PubChem CID18428214
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name2-(4-benzylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(N3CCN(Cc4ccccc4)CC3)nc12
InChIInChI=1S/C19H21N5O/c20-18(25)15-7-4-8-16-17(15)22-19(21-16)24-11-9-23(10-12-24)13-14-5-2-1-3-6-14/h1-8H,9-13H2,(H2,20,25)(H,21,22)
InChIKeyDCQHEIRDVXFSNC-UHFFFAOYSA-N
XLogP1.98
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(4-bromophenyl)ethyl]-1,4-diazepan-1-yl]-1H-benzimidazole-4-carboxamide
CID 18428286
2-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide
CID 18428278
2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide
CID 121385112
2-[4-[5-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide
CID 87055718
2-benzyl-1H-benzimidazole-4-carboxamide
CID 154521483
2-[4-[3-(4-benzylpiperazin-1-yl)propoxy]-3-pyridinyl]-1H-benzimidazole-4-carboxamide
CID 23432959
2-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide
CID 51137873
2-[4-[(2-phenylphenyl)methyl]piperazin-1-yl]-3H-benzimidazole-5-carboxamide
CID 141015107
2-amino-1H-benzimidazole-4-carboxamide
CID 10442222
4-benzyl-2-piperidin-1-yl-1H-benzimidazole
CID 54081278
2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3H-quinazolin-4-one
CID 137261639
2-(4-benzylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 18536294

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide (CID 18428214) is 2-(4-benzylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c(N3CCN(Cc4ccccc4)CC3)nc12.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is DCQHEIRDVXFSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c20-18(25)15-7-4-8-16-17(15)22-19(21-16)24-11-9-23(10-12-24)13-14-5-2-1-3-6-14/h1-8H,9-13H2,(H2,20,25)(H,21,22).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide?
2-(4-benzylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 18428214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).