1-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-3-phenylbenzimidazol-2-one

C26H28N4O — CID 42618257

IUPAC1-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-3-phenylbenzimidazol-2-one
SMILESCc1ccccc1N1CCN(CCn2c(=O)n(-c3ccccc3)c3ccccc32)CC1
InChIInChI=1S/C26H28N4O/c1-21-9-5-6-12-23(21)28-18-15-27(16-19-28)17-20-29-24-13-7-8-14-25(24)30(26(29)31)22-10-3-2-4-11-22/h2-14H,15-20H2,1H3
InChIKeySNISZSUHCOKDDB-UHFFFAOYSA-N
MW412.54 g/mol
LogP3.92
Rot. Bonds5

About 1-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-3-phenylbenzimidazol-2-one

1-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-3-phenylbenzimidazol-2-one (PubChem CID 42618257) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is 1-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-3-phenylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-3-phenylbenzimidazol-2-one
PubChem CID42618257
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC Name1-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-3-phenylbenzimidazol-2-one
SMILESCc1ccccc1N1CCN(CCn2c(=O)n(-c3ccccc3)c3ccccc32)CC1
InChIInChI=1S/C26H28N4O/c1-21-9-5-6-12-23(21)28-18-15-27(16-19-28)17-20-29-24-13-7-8-14-25(24)30(26(29)31)22-10-3-2-4-11-22/h2-14H,15-20H2,1H3
InChIKeySNISZSUHCOKDDB-UHFFFAOYSA-N
XLogP3.92
TPSA33.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-3-phenylbenzimidazol-2-one?
The IUPAC name of 1-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-3-phenylbenzimidazol-2-one (CID 42618257) is 1-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-3-phenylbenzimidazol-2-one.
What is the SMILES notation for 1-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-3-phenylbenzimidazol-2-one?
The canonical SMILES for 1-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-3-phenylbenzimidazol-2-one is Cc1ccccc1N1CCN(CCn2c(=O)n(-c3ccccc3)c3ccccc32)CC1.
What is the InChIKey of 1-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-3-phenylbenzimidazol-2-one?
The InChIKey is SNISZSUHCOKDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O/c1-21-9-5-6-12-23(21)28-18-15-27(16-19-28)17-20-29-24-13-7-8-14-25(24)30(26(29)31)22-10-3-2-4-11-22/h2-14H,15-20H2,1H3.
What are the key properties of 1-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-3-phenylbenzimidazol-2-one?
1-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-3-phenylbenzimidazol-2-one has a molecular weight of 412.54 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-3-phenylbenzimidazol-2-one is sourced from PubChem (CID 42618257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).