2-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-1-methylbenzimidazole-4-carboxamide

C21H24ClN5O — CID 18428197

IUPAC2-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-1-methylbenzimidazole-4-carboxamide
SMILESCn1c(N2CCN(CCc3ccc(Cl)cc3)CC2)nc2c(C(N)=O)cccc21
InChIInChI=1S/C21H24ClN5O/c1-25-18-4-2-3-17(20(23)28)19(18)24-21(25)27-13-11-26(12-14-27)10-9-15-5-7-16(22)8-6-15/h2-8H,9-14H2,1H3,(H2,23,28)
InChIKeyAWKUDXGATUCPAJ-UHFFFAOYSA-N
MW397.91 g/mol
LogP2.69
Rot. Bonds5

About 2-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-1-methylbenzimidazole-4-carboxamide

2-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-1-methylbenzimidazole-4-carboxamide (PubChem CID 18428197) has the molecular formula C21H24ClN5O and a molecular weight of 397.91 g/mol. Its IUPAC name is 2-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-1-methylbenzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-1-methylbenzimidazole-4-carboxamide
PubChem CID18428197
Molecular FormulaC21H24ClN5O
Molecular Weight397.91 g/mol
Exact Mass397.17
IUPAC Name2-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-1-methylbenzimidazole-4-carboxamide
SMILESCn1c(N2CCN(CCc3ccc(Cl)cc3)CC2)nc2c(C(N)=O)cccc21
InChIInChI=1S/C21H24ClN5O/c1-25-18-4-2-3-17(20(23)28)19(18)24-21(25)27-13-11-26(12-14-27)10-9-15-5-7-16(22)8-6-15/h2-8H,9-14H2,1H3,(H2,23,28)
InChIKeyAWKUDXGATUCPAJ-UHFFFAOYSA-N
XLogP2.69
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-2-(4-propyl-1,4-diazepan-1-yl)benzimidazole-4-carboxamide
CID 18428216
2-(1,4-diazepan-1-yl)-1-methylbenzimidazole-4-carboxamide
CID 18428086
2-[4-[2-(4-bromophenyl)ethyl]-1,4-diazepan-1-yl]-1H-benzimidazole-4-carboxamide
CID 18428286
1-[2-(4-chlorophenyl)ethyl]-4-propylpiperazine
CID 70460835
2-(1-propylpiperidin-4-yl)-1-(2-pyrrolidin-1-ylethyl)benzimidazole-4-carboxamide
CID 18428071
[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(2-fluorophenyl)methanone;hydrochloride
CID 21275355
1-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 113074562
1-propan-2-yl-2-(1-propylpyrrolidin-3-yl)benzimidazole-4-carboxamide
CID 18428172
2-[4-(dimethylamino)piperidin-1-yl]-1-methylbenzimidazole-4-carboxylic acid
CID 151822810
1-[2-(4-chlorophenyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxamide
CID 3351123
(3R)-1-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 118058321
4-[2-(4-chlorophenyl)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106931

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-1-methylbenzimidazole-4-carboxamide?
The IUPAC name of 2-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-1-methylbenzimidazole-4-carboxamide (CID 18428197) is 2-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-1-methylbenzimidazole-4-carboxamide.
What is the SMILES notation for 2-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-1-methylbenzimidazole-4-carboxamide?
The canonical SMILES for 2-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-1-methylbenzimidazole-4-carboxamide is Cn1c(N2CCN(CCc3ccc(Cl)cc3)CC2)nc2c(C(N)=O)cccc21.
What is the InChIKey of 2-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-1-methylbenzimidazole-4-carboxamide?
The InChIKey is AWKUDXGATUCPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O/c1-25-18-4-2-3-17(20(23)28)19(18)24-21(25)27-13-11-26(12-14-27)10-9-15-5-7-16(22)8-6-15/h2-8H,9-14H2,1H3,(H2,23,28).
What are the key properties of 2-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-1-methylbenzimidazole-4-carboxamide?
2-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-1-methylbenzimidazole-4-carboxamide has a molecular weight of 397.91 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-1-methylbenzimidazole-4-carboxamide is sourced from PubChem (CID 18428197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).