(2-bromophenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone

C20H20BrN3O — CID 108756879

IUPAC(2-bromophenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1ccc2nc(C3CCN(C(=O)c4ccccc4Br)CC3)[nH]c2c1
InChIInChI=1S/C20H20BrN3O/c1-13-6-7-17-18(12-13)23-19(22-17)14-8-10-24(11-9-14)20(25)15-4-2-3-5-16(15)21/h2-7,12,14H,8-11H2,1H3,(H,22,23)
InChIKeyLRVBXKMKDSYBFA-UHFFFAOYSA-N
MW398.30 g/mol
LogP4.65
Rot. Bonds2

About (2-bromophenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone

(2-bromophenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 108756879) has the molecular formula C20H20BrN3O and a molecular weight of 398.30 g/mol. Its IUPAC name is (2-bromophenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromophenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID108756879
Molecular FormulaC20H20BrN3O
Molecular Weight398.30 g/mol
Exact Mass397.08
IUPAC Name(2-bromophenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1ccc2nc(C3CCN(C(=O)c4ccccc4Br)CC3)[nH]c2c1
InChIInChI=1S/C20H20BrN3O/c1-13-6-7-17-18(12-13)23-19(22-17)14-8-10-24(11-9-14)20(25)15-4-2-3-5-16(15)21/h2-7,12,14H,8-11H2,1H3,(H,22,23)
InChIKeyLRVBXKMKDSYBFA-UHFFFAOYSA-N
XLogP4.65
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.30
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methoxyphenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 1430066
furan-2-yl-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 647639
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone
CID 1452977
(3,4-dichlorophenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 108756872
2,2-dimethyl-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 1430418
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 108733646
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-1-one
CID 108733576
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(2-bromophenyl)methanone
CID 90505707
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 99780038
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone
CID 108733624
(1,5-dimethylpyrazol-4-yl)-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 97071724
(E)-3-(3-bromo-4,5-dimethoxyphenyl)-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]prop-2-en-1-one
CID 108756945

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-bromophenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone (CID 108756879) is (2-bromophenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-bromophenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-bromophenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone is Cc1ccc2nc(C3CCN(C(=O)c4ccccc4Br)CC3)[nH]c2c1.
What is the InChIKey of (2-bromophenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is LRVBXKMKDSYBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O/c1-13-6-7-17-18(12-13)23-19(22-17)14-8-10-24(11-9-14)20(25)15-4-2-3-5-16(15)21/h2-7,12,14H,8-11H2,1H3,(H,22,23).
What are the key properties of (2-bromophenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
(2-bromophenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 398.30 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 108756879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).