1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one

C28H29N3O — CID 108733646

IUPAC1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
SMILESCc1ccc2nc(C3CCN(C(=O)CC(c4ccccc4)c4ccccc4)CC3)[nH]c2c1
InChIInChI=1S/C28H29N3O/c1-20-12-13-25-26(18-20)30-28(29-25)23-14-16-31(17-15-23)27(32)19-24(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,18,23-24H,14-17,19H2,1H3,(H,29,30)
InChIKeyUSTIOEQQSUIVRB-UHFFFAOYSA-N
MW423.56 g/mol
LogP5.80
Rot. Bonds5

About 1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one

1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one (PubChem CID 108733646) has the molecular formula C28H29N3O and a molecular weight of 423.56 g/mol. Its IUPAC name is 1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
PubChem CID108733646
Molecular FormulaC28H29N3O
Molecular Weight423.56 g/mol
Exact Mass423.23
IUPAC Name1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
SMILESCc1ccc2nc(C3CCN(C(=O)CC(c4ccccc4)c4ccccc4)CC3)[nH]c2c1
InChIInChI=1S/C28H29N3O/c1-20-12-13-25-26(18-20)30-28(29-25)23-14-16-31(17-15-23)27(32)19-24(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,18,23-24H,14-17,19H2,1H3,(H,29,30)
InChIKeyUSTIOEQQSUIVRB-UHFFFAOYSA-N
XLogP5.80
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-1-one
CID 108733576
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone
CID 1452977
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone
CID 108733624
2,2-dimethyl-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 1430418
(2-bromophenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 108756879
(2-methoxyphenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 1430066
1-(3,4-dimethylphenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butane-1,4-dione
CID 108733616
(E)-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 108756925
2-(4-chloro-3,5-dimethylphenoxy)-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
CID 108756963
furan-2-yl-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 647639
N-(4-fluorophenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutanamide
CID 108756922
1-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-methylsulfanylethanone
CID 47091224

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one?
The IUPAC name of 1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one (CID 108733646) is 1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one.
What is the SMILES notation for 1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one?
The canonical SMILES for 1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one is Cc1ccc2nc(C3CCN(C(=O)CC(c4ccccc4)c4ccccc4)CC3)[nH]c2c1.
What is the InChIKey of 1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one?
The InChIKey is USTIOEQQSUIVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O/c1-20-12-13-25-26(18-20)30-28(29-25)23-14-16-31(17-15-23)27(32)19-24(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,18,23-24H,14-17,19H2,1H3,(H,29,30).
What are the key properties of 1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one?
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one has a molecular weight of 423.56 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one is sourced from PubChem (CID 108733646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).