1-[4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethanone

C15H19ClN4O — CID 56814014

IUPAC1-[4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2nc3cc(Cl)ccc3n2C)CC1
InChIInChI=1S/C15H19ClN4O/c1-11(21)20-7-5-19(6-8-20)10-15-17-13-9-12(16)3-4-14(13)18(15)2/h3-4,9H,5-8,10H2,1-2H3
InChIKeyXPFHDDOFQRJFAH-UHFFFAOYSA-N
MW306.80 g/mol
LogP1.89
Rot. Bonds2

About 1-[4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethanone

1-[4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 56814014) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 1-[4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethanone
PubChem CID56814014
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name1-[4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2nc3cc(Cl)ccc3n2C)CC1
InChIInChI=1S/C15H19ClN4O/c1-11(21)20-7-5-19(6-8-20)10-15-17-13-9-12(16)3-4-14(13)18(15)2/h3-4,9H,5-8,10H2,1-2H3
InChIKeyXPFHDDOFQRJFAH-UHFFFAOYSA-N
XLogP1.89
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]morpholine
CID 851996
4-chloro-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
CID 17236030
1-[4-[(1-benzyl-6-chlorobenzimidazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 134084276
2-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5-chloro-1-methylbenzimidazole
CID 60501515
2-methyl-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
CID 17236024
2-[[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide
CID 50822596
2-methyl-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
CID 23611152
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-(4-methoxyphenoxy)acetamide;hydrochloride
CID 16682075
(4-tert-butylphenyl)-[4-[[1-methyl-5-(pyrrolidine-1-carbonyl)benzimidazol-2-yl]methyl]piperazin-1-yl]methanone
CID 50822440
[1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780786
3-(5-chloro-1-methylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid
CID 84640275
1-methyl-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 83967724

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethanone (CID 56814014) is 1-[4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2nc3cc(Cl)ccc3n2C)CC1.
What is the InChIKey of 1-[4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is XPFHDDOFQRJFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-11(21)20-7-5-19(6-8-20)10-15-17-13-9-12(16)3-4-14(13)18(15)2/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 1-[4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethanone?
1-[4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 306.80 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 56814014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).