1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzimidazole

C18H19ClN4 — CID 5209936

IUPAC1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzimidazole
SMILESClc1cccc(N2CCN(Cn3cnc4ccccc43)CC2)c1
InChIInChI=1S/C18H19ClN4/c19-15-4-3-5-16(12-15)22-10-8-21(9-11-22)14-23-13-20-17-6-1-2-7-18(17)23/h1-7,12-13H,8-11,14H2
InChIKeyMQMAYYRVPPDKMZ-UHFFFAOYSA-N
MW326.83 g/mol
LogP3.47
Rot. Bonds3

About 1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzimidazole

1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzimidazole (PubChem CID 5209936) has the molecular formula C18H19ClN4 and a molecular weight of 326.83 g/mol. Its IUPAC name is 1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzimidazole.

Molecular Properties

Compound Name1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzimidazole
PubChem CID5209936
Molecular FormulaC18H19ClN4
Molecular Weight326.83 g/mol
Exact Mass326.13
IUPAC Name1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzimidazole
SMILESClc1cccc(N2CCN(Cn3cnc4ccccc43)CC2)c1
InChIInChI=1S/C18H19ClN4/c19-15-4-3-5-16(12-15)22-10-8-21(9-11-22)14-23-13-20-17-6-1-2-7-18(17)23/h1-7,12-13H,8-11,14H2
InChIKeyMQMAYYRVPPDKMZ-UHFFFAOYSA-N
XLogP3.47
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]quinoxalin-2-one
CID 139617099
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrimidine
CID 171909306
1-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]benzimidazole
CID 18190414
4-[2-(benzimidazol-1-yl)acetyl]-1-(3-chlorophenyl)piperazin-2-one
CID 70707147
2,3-bis[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzo[g]quinoxaline;hydrochloride
CID 70163649
1-(benzimidazol-1-ylmethyl)piperidine-4-carboxamide
CID 2809739
1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrrolidin-2-one
CID 3021275
1-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]benzimidazole
CID 17422149
1-(3-chlorophenyl)-4-[(2-chloro-4-pyridinyl)methyl]piperazine
CID 62047060
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-pyridin-2-ylethanone
CID 72720536
1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one
CID 60649957
3-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol
CID 62270193

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzimidazole?
The IUPAC name of 1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzimidazole (CID 5209936) is 1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzimidazole.
What is the SMILES notation for 1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzimidazole?
The canonical SMILES for 1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzimidazole is Clc1cccc(N2CCN(Cn3cnc4ccccc43)CC2)c1.
What is the InChIKey of 1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzimidazole?
The InChIKey is MQMAYYRVPPDKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4/c19-15-4-3-5-16(12-15)22-10-8-21(9-11-22)14-23-13-20-17-6-1-2-7-18(17)23/h1-7,12-13H,8-11,14H2.
What are the key properties of 1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzimidazole?
1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzimidazole has a molecular weight of 326.83 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzimidazole is sourced from PubChem (CID 5209936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).