N-(3H-benzimidazol-5-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride

C20H24ClN5O — CID 108886011

IUPACN-(3H-benzimidazol-5-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride
SMILESCc1cccc(N2CCN(C(=O)Nc3ccc4nc[nH]c4c3)CC2)c1C.Cl
InChIInChI=1S/C20H23N5O.ClH/c1-14-4-3-5-19(15(14)2)24-8-10-25(11-9-24)20(26)23-16-6-7-17-18(12-16)22-13-21-17;/h3-7,12-13H,8-11H2,1-2H3,(H,21,22)(H,23,26);1H
InChIKeyYUMSFLSLIONDKK-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.96
Rot. Bonds2

About N-(3H-benzimidazol-5-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride

N-(3H-benzimidazol-5-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride (PubChem CID 108886011) has the molecular formula C20H24ClN5O and a molecular weight of 385.90 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride
PubChem CID108886011
Molecular FormulaC20H24ClN5O
Molecular Weight385.90 g/mol
Exact Mass385.17
IUPAC NameN-(3H-benzimidazol-5-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride
SMILESCc1cccc(N2CCN(C(=O)Nc3ccc4nc[nH]c4c3)CC2)c1C.Cl
InChIInChI=1S/C20H23N5O.ClH/c1-14-4-3-5-19(15(14)2)24-8-10-25(11-9-24)20(26)23-16-6-7-17-18(12-16)22-13-21-17;/h3-7,12-13H,8-11H2,1-2H3,(H,21,22)(H,23,26);1H
InChIKeyYUMSFLSLIONDKK-UHFFFAOYSA-N
XLogP3.96
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzhydryl-N-(3H-benzimidazol-5-yl)piperazine-1-carboxamide
CID 108885798
4-(2,3-dimethylphenyl)-N-(4-pyrrol-1-ylphenyl)piperazine-1-carboxamide;hydrochloride
CID 108886876
N-(3H-benzimidazol-5-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108529250
4-(2,3-dimethylphenyl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 108812009
N-(3H-benzimidazol-5-yl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108885802
[4-[[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]amino]phenyl] ethyl carbonate;hydrochloride
CID 108865707
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1H-indazol-6-yl)-2-oxoacetamide
CID 108530132
4-(2,3-dimethylphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide;hydrochloride
CID 108813826
4-(2,3-dimethylphenyl)-N-thiophen-2-ylpiperazine-1-carboxamide;hydrochloride
CID 108889235
N-(3-bromo-4-methylphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 113111047
N-cyclohexyl-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride
CID 108868301
N-(3H-benzimidazol-5-yl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 108521097

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride?
The IUPAC name of N-(3H-benzimidazol-5-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride (CID 108886011) is N-(3H-benzimidazol-5-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride is Cc1cccc(N2CCN(C(=O)Nc3ccc4nc[nH]c4c3)CC2)c1C.Cl.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride?
The InChIKey is YUMSFLSLIONDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O.ClH/c1-14-4-3-5-19(15(14)2)24-8-10-25(11-9-24)20(26)23-16-6-7-17-18(12-16)22-13-21-17;/h3-7,12-13H,8-11H2,1-2H3,(H,21,22)(H,23,26);1H.
What are the key properties of N-(3H-benzimidazol-5-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride?
N-(3H-benzimidazol-5-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride has a molecular weight of 385.90 g/mol, XLogP of 3.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 108886011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).