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

C19H26N4O — CID 1452977

IUPAC[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone
SMILESCc1ccc2nc(C3CCN(C(=O)N4CCCCC4)CC3)[nH]c2c1
InChIInChI=1S/C19H26N4O/c1-14-5-6-16-17(13-14)21-18(20-16)15-7-11-23(12-8-15)19(24)22-9-3-2-4-10-22/h5-6,13,15H,2-4,7-12H2,1H3,(H,20,21)
InChIKeyGRDQNGREDSTJMQ-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.66
Rot. Bonds1

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

[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone (PubChem CID 1452977) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is [4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone
PubChem CID1452977
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone
SMILESCc1ccc2nc(C3CCN(C(=O)N4CCCCC4)CC3)[nH]c2c1
InChIInChI=1S/C19H26N4O/c1-14-5-6-16-17(13-14)21-18(20-16)15-7-11-23(12-8-15)19(24)22-9-3-2-4-10-22/h5-6,13,15H,2-4,7-12H2,1H3,(H,20,21)
InChIKeyGRDQNGREDSTJMQ-UHFFFAOYSA-N
XLogP3.66
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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]butan-1-one
CID 108733576
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 99780038
(3,4-dichlorophenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 108756872
N-cyclohexyl-4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide
CID 108781623
furan-2-yl-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 647639
(2-bromophenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 108756879
1-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-methylsulfanylethanone
CID 47091224
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 108733646
(2-methoxyphenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 1430066
2-[(3S)-1-(azepan-1-ylsulfonyl)piperidin-3-yl]-6-methyl-1H-benzimidazole
CID 97258168
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone
CID 108733624

Frequently Asked Questions

What is the IUPAC name of [4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone (CID 1452977) is [4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone is Cc1ccc2nc(C3CCN(C(=O)N4CCCCC4)CC3)[nH]c2c1.
What is the InChIKey of [4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone?
The InChIKey is GRDQNGREDSTJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14-5-6-16-17(13-14)21-18(20-16)15-7-11-23(12-8-15)19(24)22-9-3-2-4-10-22/h5-6,13,15H,2-4,7-12H2,1H3,(H,20,21).
What are the key properties of [4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone?
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone has a molecular weight of 326.44 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 1452977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).