[4-(3-chlorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone

C18H21ClN4O — CID 90639970

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
SMILESO=C(C1CCc2nc[nH]c2C1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H21ClN4O/c19-14-2-1-3-15(11-14)22-6-8-23(9-7-22)18(24)13-4-5-16-17(10-13)21-12-20-16/h1-3,11-13H,4-10H2,(H,20,21)
InChIKeyFYWZITWHZNZJLP-UHFFFAOYSA-N
MW344.85 g/mol
LogP2.52
Rot. Bonds2

About [4-(3-chlorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone

[4-(3-chlorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone (PubChem CID 90639970) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
PubChem CID90639970
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
SMILESO=C(C1CCc2nc[nH]c2C1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H21ClN4O/c19-14-2-1-3-15(11-14)22-6-8-23(9-7-22)18(24)13-4-5-16-17(10-13)21-12-20-16/h1-3,11-13H,4-10H2,(H,20,21)
InChIKeyFYWZITWHZNZJLP-UHFFFAOYSA-N
XLogP2.52
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(3-chlorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone with MolForge

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Related Compounds

(6S)-6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one
CID 100740411
[4-(3-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone
CID 798144
[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-cyclobutylmethanone
CID 113005178
[4-(3-chlorophenyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 78802038
[4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-methylpiperidin-3-yl]methanone
CID 96588891
[4-(3-chlorophenyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone
CID 134059602
1-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]azetidin-1-yl]ethanone
CID 90513796
[4-(3-chlorophenyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
CID 17419992
[4-(3-methylphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone
CID 110680601
[1-(2-chlorobenzoyl)piperidin-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 17223304
N-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640075
[1-(3-chlorophenyl)piperidin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 17153069

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone (CID 90639970) is [4-(3-chlorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone is O=C(C1CCc2nc[nH]c2C1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone?
The InChIKey is FYWZITWHZNZJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c19-14-2-1-3-15(11-14)22-6-8-23(9-7-22)18(24)13-4-5-16-17(10-13)21-12-20-16/h1-3,11-13H,4-10H2,(H,20,21).
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone has a molecular weight of 344.85 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone is sourced from PubChem (CID 90639970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).