2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1-ethylbenzimidazole

C20H23ClN4 — CID 1236342

IUPAC2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1-ethylbenzimidazole
SMILESCCn1c(CN2CCN(c3ccc(Cl)cc3)CC2)nc2ccccc21
InChIInChI=1S/C20H23ClN4/c1-2-25-19-6-4-3-5-18(19)22-20(25)15-23-11-13-24(14-12-23)17-9-7-16(21)8-10-17/h3-10H,2,11-15H2,1H3
InChIKeyNERDWIVQEVZXNB-UHFFFAOYSA-N
MW354.89 g/mol
LogP4.03
Rot. Bonds4

About 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1-ethylbenzimidazole

2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1-ethylbenzimidazole (PubChem CID 1236342) has the molecular formula C20H23ClN4 and a molecular weight of 354.89 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1-ethylbenzimidazole.

Molecular Properties

Compound Name2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1-ethylbenzimidazole
PubChem CID1236342
Molecular FormulaC20H23ClN4
Molecular Weight354.89 g/mol
Exact Mass354.16
IUPAC Name2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1-ethylbenzimidazole
SMILESCCn1c(CN2CCN(c3ccc(Cl)cc3)CC2)nc2ccccc21
InChIInChI=1S/C20H23ClN4/c1-2-25-19-6-4-3-5-18(19)22-20(25)15-23-11-13-24(14-12-23)17-9-7-16(21)8-10-17/h3-10H,2,11-15H2,1H3
InChIKeyNERDWIVQEVZXNB-UHFFFAOYSA-N
XLogP4.03
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.89
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1-ethylbenzimidazole?
The IUPAC name of 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1-ethylbenzimidazole (CID 1236342) is 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1-ethylbenzimidazole.
What is the SMILES notation for 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1-ethylbenzimidazole?
The canonical SMILES for 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1-ethylbenzimidazole is CCn1c(CN2CCN(c3ccc(Cl)cc3)CC2)nc2ccccc21.
What is the InChIKey of 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1-ethylbenzimidazole?
The InChIKey is NERDWIVQEVZXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4/c1-2-25-19-6-4-3-5-18(19)22-20(25)15-23-11-13-24(14-12-23)17-9-7-16(21)8-10-17/h3-10H,2,11-15H2,1H3.
What are the key properties of 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1-ethylbenzimidazole?
2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1-ethylbenzimidazole has a molecular weight of 354.89 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1-ethylbenzimidazole is sourced from PubChem (CID 1236342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).