N-(2-chlorophenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide

C20H22ClN5O — CID 44754338

IUPACN-(2-chlorophenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide
SMILESCCn1c(N2CCN(C(=O)Nc3ccccc3Cl)CC2)nc2ccccc21
InChIInChI=1S/C20H22ClN5O/c1-2-26-18-10-6-5-9-17(18)22-19(26)24-11-13-25(14-12-24)20(27)23-16-8-4-3-7-15(16)21/h3-10H,2,11-14H2,1H3,(H,23,27)
InChIKeyHTHMISPWWNRLPP-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.06
Rot. Bonds3

About N-(2-chlorophenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide

N-(2-chlorophenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide (PubChem CID 44754338) has the molecular formula C20H22ClN5O and a molecular weight of 383.88 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide
PubChem CID44754338
Molecular FormulaC20H22ClN5O
Molecular Weight383.88 g/mol
Exact Mass383.15
IUPAC NameN-(2-chlorophenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide
SMILESCCn1c(N2CCN(C(=O)Nc3ccccc3Cl)CC2)nc2ccccc21
InChIInChI=1S/C20H22ClN5O/c1-2-26-18-10-6-5-9-17(18)22-19(26)24-11-13-25(14-12-24)20(27)23-16-8-4-3-7-15(16)21/h3-10H,2,11-14H2,1H3,(H,23,27)
InChIKeyHTHMISPWWNRLPP-UHFFFAOYSA-N
XLogP4.06
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 46375427
N-(2-chlorophenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 53019941
4-(1-ethylbenzimidazol-2-yl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 46375439
N-(1,3-benzodioxol-5-yl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 46375452
cyclohexyl-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]methanone
CID 46375584
[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 3545151
4-(1-ethylbenzimidazol-2-yl)-N-methylpiperazine-1-carbothioamide
CID 1462205
4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 53070095
N-(5-chloro-2,4-dimethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 46375484
ethyl (3S)-3-[[4-(1-ethylbenzimidazol-2-yl)piperazine-1-carbonyl]amino]-3-phenylpropanoate
CID 92879177
2-cyclohexyl-1-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]ethanone
CID 46375593
methyl 2-[[4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoate
CID 53070062

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide (CID 44754338) is N-(2-chlorophenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide is CCn1c(N2CCN(C(=O)Nc3ccccc3Cl)CC2)nc2ccccc21.
What is the InChIKey of N-(2-chlorophenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide?
The InChIKey is HTHMISPWWNRLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O/c1-2-26-18-10-6-5-9-17(18)22-19(26)24-11-13-25(14-12-24)20(27)23-16-8-4-3-7-15(16)21/h3-10H,2,11-14H2,1H3,(H,23,27).
What are the key properties of N-(2-chlorophenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide?
N-(2-chlorophenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide has a molecular weight of 383.88 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 44754338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).