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

C27H30N4O2 — CID 42618259

IUPAC1-(3-methoxyphenyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-2-one
SMILESCOc1cccc(-n2c(=O)n(CCN3CCN(c4ccccc4C)CC3)c3ccccc32)c1
InChIInChI=1S/C27H30N4O2/c1-21-8-3-4-11-24(21)29-17-14-28(15-18-29)16-19-30-25-12-5-6-13-26(25)31(27(30)32)22-9-7-10-23(20-22)33-2/h3-13,20H,14-19H2,1-2H3
InChIKeyBJKXYCSLNNWPCJ-UHFFFAOYSA-N
MW442.56 g/mol
LogP3.93
Rot. Bonds6

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

1-(3-methoxyphenyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-2-one (PubChem CID 42618259) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-2-one
PubChem CID42618259
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC Name1-(3-methoxyphenyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-2-one
SMILESCOc1cccc(-n2c(=O)n(CCN3CCN(c4ccccc4C)CC3)c3ccccc32)c1
InChIInChI=1S/C27H30N4O2/c1-21-8-3-4-11-24(21)29-17-14-28(15-18-29)16-19-30-25-12-5-6-13-26(25)31(27(30)32)22-9-7-10-23(20-22)33-2/h3-13,20H,14-19H2,1-2H3
InChIKeyBJKXYCSLNNWPCJ-UHFFFAOYSA-N
XLogP3.93
TPSA42.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(3-methoxyphenyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-2-one with MolForge

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Related Compounds

3-(M-Anisyl)-1,1-dibenzylurea
CID 3411091
Benzimidazolone scaffold, 8c
CID 42618255
Benzimidazolone scaffold, 8d
CID 42618256
N-(3-methoxyphenyl)-N-methyl-2-(2-oxo-6-phenyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)acetamide
CID 71524638
ethyl 3-(4-methoxybenzyl)-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-1-carboxylate
CID 1484101
Benzo[b][1]benzazepin-11-yl-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 137641191
1H-Benzimidazole, 2,3-dihydro-2-(4-methoxyphenyl)-1,3-dimethyl-
CID 759319
1-(1-(4-methoxybenzyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 9927776
1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(3-methoxy-phenyl)-imidazolidin-2-one
CID 10780654
1-[2-(4-Benzyl-piperidin-1-ylmethyl)-phenyl]-3-(3-methoxy-phenyl)-urea
CID 11026367
1-{2-[2-(4-Benzyl-piperidin-1-yl)-ethyl]-phenyl}-3-(3-methoxy-phenyl)-urea
CID 11026634
methyl 1-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]spiro[2H-indole-3,4'-piperidine]-1'-carboxylate
CID 11606309

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-2-one?
The IUPAC name of 1-(3-methoxyphenyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-2-one (CID 42618259) is 1-(3-methoxyphenyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-2-one.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-2-one?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-2-one is COc1cccc(-n2c(=O)n(CCN3CCN(c4ccccc4C)CC3)c3ccccc32)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-2-one?
The InChIKey is BJKXYCSLNNWPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-21-8-3-4-11-24(21)29-17-14-28(15-18-29)16-19-30-25-12-5-6-13-26(25)31(27(30)32)22-9-7-10-23(20-22)33-2/h3-13,20H,14-19H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-2-one?
1-(3-methoxyphenyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-2-one has a molecular weight of 442.56 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-2-one is sourced from PubChem (CID 42618259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).