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

C27H30N4O — CID 42618258

IUPAC1-(2-methylphenyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-2-one
SMILESCc1ccccc1N1CCN(CCn2c(=O)n(-c3ccccc3C)c3ccccc32)CC1
InChIInChI=1S/C27H30N4O/c1-21-9-3-5-11-23(21)29-18-15-28(16-19-29)17-20-30-25-13-7-8-14-26(25)31(27(30)32)24-12-6-4-10-22(24)2/h3-14H,15-20H2,1-2H3
InChIKeyYKWLQTJNNWZMOA-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.23
Rot. Bonds5

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

1-(2-methylphenyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-2-one (PubChem CID 42618258) has the molecular formula C27H30N4O and a molecular weight of 426.56 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-2-one
PubChem CID42618258
Molecular FormulaC27H30N4O
Molecular Weight426.56 g/mol
Exact Mass426.24
IUPAC Name1-(2-methylphenyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-2-one
SMILESCc1ccccc1N1CCN(CCn2c(=O)n(-c3ccccc3C)c3ccccc32)CC1
InChIInChI=1S/C27H30N4O/c1-21-9-3-5-11-23(21)29-18-15-28(16-19-29)17-20-30-25-13-7-8-14-26(25)31(27(30)32)24-12-6-4-10-22(24)2/h3-14H,15-20H2,1-2H3
InChIKeyYKWLQTJNNWZMOA-UHFFFAOYSA-N
XLogP4.23
TPSA33.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-2-one?
The IUPAC name of 1-(2-methylphenyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-2-one (CID 42618258) is 1-(2-methylphenyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-2-one.
What is the SMILES notation for 1-(2-methylphenyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-2-one?
The canonical SMILES for 1-(2-methylphenyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-2-one is Cc1ccccc1N1CCN(CCn2c(=O)n(-c3ccccc3C)c3ccccc32)CC1.
What is the InChIKey of 1-(2-methylphenyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-2-one?
The InChIKey is YKWLQTJNNWZMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O/c1-21-9-3-5-11-23(21)29-18-15-28(16-19-29)17-20-30-25-13-7-8-14-26(25)31(27(30)32)24-12-6-4-10-22(24)2/h3-14H,15-20H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-2-one?
1-(2-methylphenyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-2-one has a molecular weight of 426.56 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-2-one is sourced from PubChem (CID 42618258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).