[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-piperidin-1-ylmethanone

C20H21N3O — CID 141349864

IUPAC[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-piperidin-1-ylmethanone
SMILESCc1ccc(C(=O)N2CCCCC2)cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C20H21N3O/c1-14-9-10-15(20(24)23-11-5-2-6-12-23)13-16(14)19-21-17-7-3-4-8-18(17)22-19/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,21,22)
InChIKeyREHRCLUKMOBTIR-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.16
Rot. Bonds2

About [3-(1H-benzimidazol-2-yl)-4-methylphenyl]-piperidin-1-ylmethanone

[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-piperidin-1-ylmethanone (PubChem CID 141349864) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is [3-(1H-benzimidazol-2-yl)-4-methylphenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-piperidin-1-ylmethanone
PubChem CID141349864
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-piperidin-1-ylmethanone
SMILESCc1ccc(C(=O)N2CCCCC2)cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C20H21N3O/c1-14-9-10-15(20(24)23-11-5-2-6-12-23)13-16(14)19-21-17-7-3-4-8-18(17)22-19/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,21,22)
InChIKeyREHRCLUKMOBTIR-UHFFFAOYSA-N
XLogP4.16
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[2-(1H-benzimidazol-2-yl)pyridine-4-carbonyl]piperazin-1-yl]-[2-(1H-benzimidazol-2-yl)-4-pyridinyl]methanone
CID 138672421
1-[4-[3-(1H-benzimidazol-2-yl)benzoyl]-1,4-diazepan-1-yl]ethanone
CID 119063003
1H-benzimidazol-2-yl(piperidin-1-yl)methanone
CID 12620216
[2-(1H-benzimidazol-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 4915258
[2-(methylamino)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone
CID 145234818
2-(1H-benzimidazol-2-yl)terephthalic acid
CID 6395633
4-[1-[4-methyl-3-(6-pyrrolidin-1-yl-1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]benzonitrile
CID 121277579
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 42932458
3-(1H-benzimidazol-2-yl)-4-methoxybenzoic acid
CID 168554913
1-fluoro-3-methoxysulfanylbenzene;(2-naphthalen-1-yl-3H-benzimidazol-5-yl)-piperidin-1-ylmethanone
CID 155599118
1-[3-(1H-benzimidazol-2-yl)-1H-indazole-6-carbonyl]piperidine-4-carboxamide
CID 137303147
azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
CID 47009187

Frequently Asked Questions

What is the IUPAC name of [3-(1H-benzimidazol-2-yl)-4-methylphenyl]-piperidin-1-ylmethanone?
The IUPAC name of [3-(1H-benzimidazol-2-yl)-4-methylphenyl]-piperidin-1-ylmethanone (CID 141349864) is [3-(1H-benzimidazol-2-yl)-4-methylphenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-(1H-benzimidazol-2-yl)-4-methylphenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-(1H-benzimidazol-2-yl)-4-methylphenyl]-piperidin-1-ylmethanone is Cc1ccc(C(=O)N2CCCCC2)cc1-c1nc2ccccc2[nH]1.
What is the InChIKey of [3-(1H-benzimidazol-2-yl)-4-methylphenyl]-piperidin-1-ylmethanone?
The InChIKey is REHRCLUKMOBTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-14-9-10-15(20(24)23-11-5-2-6-12-23)13-16(14)19-21-17-7-3-4-8-18(17)22-19/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,21,22).
What are the key properties of [3-(1H-benzimidazol-2-yl)-4-methylphenyl]-piperidin-1-ylmethanone?
[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-piperidin-1-ylmethanone has a molecular weight of 319.41 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-benzimidazol-2-yl)-4-methylphenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 141349864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).