3-methyl-5-[2-(5-methyl-2-piperidin-4-ylphenyl)-1H-imidazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-one

C27H33N5O — CID 91375287

IUPAC3-methyl-5-[2-(5-methyl-2-piperidin-4-ylphenyl)-1H-imidazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-one
SMILESCc1ccc(C2CCNCC2)c(-c2ncc(-c3ccc4c(c3)n(C)c(=O)n4CC(C)C)[nH]2)c1
InChIInChI=1S/C27H33N5O/c1-17(2)16-32-24-8-6-20(14-25(24)31(4)27(32)33)23-15-29-26(30-23)22-13-18(3)5-7-21(22)19-9-11-28-12-10-19/h5-8,13-15,17,19,28H,9-12,16H2,1-4H3,(H,29,30)
InChIKeyWTPAKTWPODHMRK-UHFFFAOYSA-N
MW443.60 g/mol
LogP4.83
Rot. Bonds5

About 3-methyl-5-[2-(5-methyl-2-piperidin-4-ylphenyl)-1H-imidazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-one

3-methyl-5-[2-(5-methyl-2-piperidin-4-ylphenyl)-1H-imidazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-one (PubChem CID 91375287) has the molecular formula C27H33N5O and a molecular weight of 443.60 g/mol. Its IUPAC name is 3-methyl-5-[2-(5-methyl-2-piperidin-4-ylphenyl)-1H-imidazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-one.

Molecular Properties

Compound Name3-methyl-5-[2-(5-methyl-2-piperidin-4-ylphenyl)-1H-imidazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-one
PubChem CID91375287
Molecular FormulaC27H33N5O
Molecular Weight443.60 g/mol
Exact Mass443.27
IUPAC Name3-methyl-5-[2-(5-methyl-2-piperidin-4-ylphenyl)-1H-imidazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-one
SMILESCc1ccc(C2CCNCC2)c(-c2ncc(-c3ccc4c(c3)n(C)c(=O)n4CC(C)C)[nH]2)c1
InChIInChI=1S/C27H33N5O/c1-17(2)16-32-24-8-6-20(14-25(24)31(4)27(32)33)23-15-29-26(30-23)22-13-18(3)5-7-21(22)19-9-11-28-12-10-19/h5-8,13-15,17,19,28H,9-12,16H2,1-4H3,(H,29,30)
InChIKeyWTPAKTWPODHMRK-UHFFFAOYSA-N
XLogP4.83
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.60
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-diethyl-5-[2-(5-methyl-2-piperidin-4-ylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one
CID 90847767
3-methyl-5-[4-(3-methylphenyl)-2-pyridin-3-yl-1H-imidazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-one
CID 23581491
3-methyl-5-[2-(5-methyl-2-pyrazin-2-ylphenyl)-1H-imidazol-5-yl]-1-pyridin-3-ylbenzimidazol-2-one
CID 91409317
3-ethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]-1-propan-2-ylbenzimidazol-2-one
CID 23581521
1-(2,2-dimethylpropyl)-5-(2-fluoro-5-methylphenyl)-3-methylbenzimidazol-2-one
CID 56655807
1-cyclohexyl-3-methyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one
CID 23581450
4-[[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]methyl]piperidine
CID 61029255
1,3-diethyl-5-[5-(2-fluoro-5-methylphenyl)-3-[(3R)-pyrrolidin-3-yl]imidazol-4-yl]benzimidazol-2-one
CID 58648524
5-[3-amino-5-(2-fluoro-5-methylphenyl)-1H-pyrazol-4-yl]-3-methyl-1-propan-2-ylbenzimidazol-2-one
CID 23581623
3-(2-hydroxypropyl)-1,6-dimethylquinazoline-2,4-dione
CID 117262422
4-[4-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]phenyl]piperidine
CID 155201567
2-[4-(1-cyclopentyl-3-methyl-2-oxobenzimidazol-5-yl)-5-(3-methylphenyl)pyrazol-1-yl]acetic acid
CID 23581511

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-(5-methyl-2-piperidin-4-ylphenyl)-1H-imidazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-one?
The IUPAC name of 3-methyl-5-[2-(5-methyl-2-piperidin-4-ylphenyl)-1H-imidazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-one (CID 91375287) is 3-methyl-5-[2-(5-methyl-2-piperidin-4-ylphenyl)-1H-imidazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-one.
What is the SMILES notation for 3-methyl-5-[2-(5-methyl-2-piperidin-4-ylphenyl)-1H-imidazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-one?
The canonical SMILES for 3-methyl-5-[2-(5-methyl-2-piperidin-4-ylphenyl)-1H-imidazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-one is Cc1ccc(C2CCNCC2)c(-c2ncc(-c3ccc4c(c3)n(C)c(=O)n4CC(C)C)[nH]2)c1.
What is the InChIKey of 3-methyl-5-[2-(5-methyl-2-piperidin-4-ylphenyl)-1H-imidazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-one?
The InChIKey is WTPAKTWPODHMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O/c1-17(2)16-32-24-8-6-20(14-25(24)31(4)27(32)33)23-15-29-26(30-23)22-13-18(3)5-7-21(22)19-9-11-28-12-10-19/h5-8,13-15,17,19,28H,9-12,16H2,1-4H3,(H,29,30).
What are the key properties of 3-methyl-5-[2-(5-methyl-2-piperidin-4-ylphenyl)-1H-imidazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-one?
3-methyl-5-[2-(5-methyl-2-piperidin-4-ylphenyl)-1H-imidazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-one has a molecular weight of 443.60 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-(5-methyl-2-piperidin-4-ylphenyl)-1H-imidazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-one is sourced from PubChem (CID 91375287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).