3H-benzimidazol-5-yl-(2-methylpiperidin-1-yl)methanone

C14H17N3O — CID 18847477

IUPAC3H-benzimidazol-5-yl-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H17N3O/c1-10-4-2-3-7-17(10)14(18)11-5-6-12-13(8-11)16-9-15-12/h5-6,8-10H,2-4,7H2,1H3,(H,15,16)
InChIKeyBHKYCRVZMWFWOP-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.58
Rot. Bonds1

About 3H-benzimidazol-5-yl-(2-methylpiperidin-1-yl)methanone

3H-benzimidazol-5-yl-(2-methylpiperidin-1-yl)methanone (PubChem CID 18847477) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl-(2-methylpiperidin-1-yl)methanone
PubChem CID18847477
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3H-benzimidazol-5-yl-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H17N3O/c1-10-4-2-3-7-17(10)14(18)11-5-6-12-13(8-11)16-9-15-12/h5-6,8-10H,2-4,7H2,1H3,(H,15,16)
InChIKeyBHKYCRVZMWFWOP-UHFFFAOYSA-N
XLogP2.58
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3H-benzimidazol-5-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 43421691
3H-benzimidazol-5-yl-[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone
CID 95629049
1-(3H-benzimidazole-5-carbonyl)pyrrolidine-2-carboxamide
CID 43582965
3H-benzimidazol-5-yl-(2,5-dimethylmorpholin-4-yl)methanone
CID 43420928
1-(3H-benzimidazole-5-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114421792
[(2S)-2-methylpiperidin-1-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone
CID 95741065
3H-benzimidazol-5-yl-(3,4-dimethylpiperazin-1-yl)methanone
CID 63605111
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(3H-benzimidazol-5-yl)methanone
CID 60960326
3H-benzimidazol-5-yl-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
CID 47066259
3H-benzimidazol-5-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95607686
1H-indazol-5-yl-(2-methylpiperidin-1-yl)methanone
CID 110485432
(3-bromophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40543984

Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of 3H-benzimidazol-5-yl-(2-methylpiperidin-1-yl)methanone (CID 18847477) is 3H-benzimidazol-5-yl-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for 3H-benzimidazol-5-yl-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of 3H-benzimidazol-5-yl-(2-methylpiperidin-1-yl)methanone?
The InChIKey is BHKYCRVZMWFWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-4-2-3-7-17(10)14(18)11-5-6-12-13(8-11)16-9-15-12/h5-6,8-10H,2-4,7H2,1H3,(H,15,16).
What are the key properties of 3H-benzimidazol-5-yl-(2-methylpiperidin-1-yl)methanone?
3H-benzimidazol-5-yl-(2-methylpiperidin-1-yl)methanone has a molecular weight of 243.31 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-yl-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 18847477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).