1-(1-benzylpiperidin-4-yl)-3-(6-methyl-1H-benzimidazol-2-yl)propan-2-one

C23H27N3O — CID 67836750

IUPAC1-(1-benzylpiperidin-4-yl)-3-(6-methyl-1H-benzimidazol-2-yl)propan-2-one
SMILESCc1ccc2nc(CC(=O)CC3CCN(Cc4ccccc4)CC3)[nH]c2c1
InChIInChI=1S/C23H27N3O/c1-17-7-8-21-22(13-17)25-23(24-21)15-20(27)14-18-9-11-26(12-10-18)16-19-5-3-2-4-6-19/h2-8,13,18H,9-12,14-16H2,1H3,(H,24,25)
InChIKeyWSMFDKFAIDZMML-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.29
Rot. Bonds6

About 1-(1-benzylpiperidin-4-yl)-3-(6-methyl-1H-benzimidazol-2-yl)propan-2-one

1-(1-benzylpiperidin-4-yl)-3-(6-methyl-1H-benzimidazol-2-yl)propan-2-one (PubChem CID 67836750) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3-(6-methyl-1H-benzimidazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3-(6-methyl-1H-benzimidazol-2-yl)propan-2-one
PubChem CID67836750
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name1-(1-benzylpiperidin-4-yl)-3-(6-methyl-1H-benzimidazol-2-yl)propan-2-one
SMILESCc1ccc2nc(CC(=O)CC3CCN(Cc4ccccc4)CC3)[nH]c2c1
InChIInChI=1S/C23H27N3O/c1-17-7-8-21-22(13-17)25-23(24-21)15-20(27)14-18-9-11-26(12-10-18)16-19-5-3-2-4-6-19/h2-8,13,18H,9-12,14-16H2,1H3,(H,24,25)
InChIKeyWSMFDKFAIDZMML-UHFFFAOYSA-N
XLogP4.29
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-benzyl-3-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]acetic acid
CID 162799248
3-(1-benzylpiperidin-4-yl)-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one
CID 10292083
2-[1-[(3-fluorophenyl)methyl]-3-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]acetic acid
CID 162799986
N-(1-benzylpyrrolidin-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 18201104
5-[[1-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one
CID 171908399
N-methyl-2-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]-N-phenylacetamide
CID 171909800
(4-benzylpiperazin-1-yl)-(2-ethyl-3H-benzimidazol-5-yl)methanone
CID 110765544
2-[(3R,4S)-3-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetic acid;hydrochloride
CID 146118536
2-[(4-benzylpiperidin-1-yl)methyl]-6-methoxy-1H-benzimidazole
CID 11325148
2-[(4-benzylpiperazin-1-yl)methyl]-6-chloro-1H-benzimidazole
CID 134084457
2-[3-(1-benzylpiperidin-4-yl)-2-oxopropyl]-4,5-dimethoxybenzoic acid;hydrochloride
CID 169490787
2-[3-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-(2-methylpropyl)piperidin-4-yl]acetic acid
CID 162799746

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(6-methyl-1H-benzimidazol-2-yl)propan-2-one?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(6-methyl-1H-benzimidazol-2-yl)propan-2-one (CID 67836750) is 1-(1-benzylpiperidin-4-yl)-3-(6-methyl-1H-benzimidazol-2-yl)propan-2-one.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3-(6-methyl-1H-benzimidazol-2-yl)propan-2-one?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3-(6-methyl-1H-benzimidazol-2-yl)propan-2-one is Cc1ccc2nc(CC(=O)CC3CCN(Cc4ccccc4)CC3)[nH]c2c1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3-(6-methyl-1H-benzimidazol-2-yl)propan-2-one?
The InChIKey is WSMFDKFAIDZMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-17-7-8-21-22(13-17)25-23(24-21)15-20(27)14-18-9-11-26(12-10-18)16-19-5-3-2-4-6-19/h2-8,13,18H,9-12,14-16H2,1H3,(H,24,25).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3-(6-methyl-1H-benzimidazol-2-yl)propan-2-one?
1-(1-benzylpiperidin-4-yl)-3-(6-methyl-1H-benzimidazol-2-yl)propan-2-one has a molecular weight of 361.49 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-3-(6-methyl-1H-benzimidazol-2-yl)propan-2-one is sourced from PubChem (CID 67836750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).