(5,6-dimethylbenzimidazol-1-yl)-(4-methylpiperidin-1-yl)methanone

C16H21N3O — CID 888939

IUPAC(5,6-dimethylbenzimidazol-1-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCc1cc2ncn(C(=O)N3CCC(C)CC3)c2cc1C
InChIInChI=1S/C16H21N3O/c1-11-4-6-18(7-5-11)16(20)19-10-17-14-8-12(2)13(3)9-15(14)19/h8-11H,4-7H2,1-3H3
InChIKeyVOWBZMVBYGELAY-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.35
Rot. Bonds

About (5,6-dimethylbenzimidazol-1-yl)-(4-methylpiperidin-1-yl)methanone

(5,6-dimethylbenzimidazol-1-yl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 888939) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (5,6-dimethylbenzimidazol-1-yl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5,6-dimethylbenzimidazol-1-yl)-(4-methylpiperidin-1-yl)methanone
PubChem CID888939
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(5,6-dimethylbenzimidazol-1-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCc1cc2ncn(C(=O)N3CCC(C)CC3)c2cc1C
InChIInChI=1S/C16H21N3O/c1-11-4-6-18(7-5-11)16(20)19-10-17-14-8-12(2)13(3)9-15(14)19/h8-11H,4-7H2,1-3H3
InChIKeyVOWBZMVBYGELAY-UHFFFAOYSA-N
XLogP3.35
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5,6-dimethylbenzimidazol-1-yl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (5,6-dimethylbenzimidazol-1-yl)-(4-methylpiperidin-1-yl)methanone (CID 888939) is (5,6-dimethylbenzimidazol-1-yl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5,6-dimethylbenzimidazol-1-yl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5,6-dimethylbenzimidazol-1-yl)-(4-methylpiperidin-1-yl)methanone is Cc1cc2ncn(C(=O)N3CCC(C)CC3)c2cc1C.
What is the InChIKey of (5,6-dimethylbenzimidazol-1-yl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is VOWBZMVBYGELAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-4-6-18(7-5-11)16(20)19-10-17-14-8-12(2)13(3)9-15(14)19/h8-11H,4-7H2,1-3H3.
What are the key properties of (5,6-dimethylbenzimidazol-1-yl)-(4-methylpiperidin-1-yl)methanone?
(5,6-dimethylbenzimidazol-1-yl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 271.36 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethylbenzimidazol-1-yl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 888939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).