(2,3-dimethylbenzimidazol-5-yl)-(3-propan-2-yloxypiperidin-1-yl)methanone

C18H25N3O2 — CID 138003180

IUPAC(2,3-dimethylbenzimidazol-5-yl)-(3-propan-2-yloxypiperidin-1-yl)methanone
SMILESCc1nc2ccc(C(=O)N3CCCC(OC(C)C)C3)cc2n1C
InChIInChI=1S/C18H25N3O2/c1-12(2)23-15-6-5-9-21(11-15)18(22)14-7-8-16-17(10-14)20(4)13(3)19-16/h7-8,10,12,15H,5-6,9,11H2,1-4H3
InChIKeyKQUZLDRHPMUFOI-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.91
Rot. Bonds3

About (2,3-dimethylbenzimidazol-5-yl)-(3-propan-2-yloxypiperidin-1-yl)methanone

(2,3-dimethylbenzimidazol-5-yl)-(3-propan-2-yloxypiperidin-1-yl)methanone (PubChem CID 138003180) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (2,3-dimethylbenzimidazol-5-yl)-(3-propan-2-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,3-dimethylbenzimidazol-5-yl)-(3-propan-2-yloxypiperidin-1-yl)methanone
PubChem CID138003180
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(2,3-dimethylbenzimidazol-5-yl)-(3-propan-2-yloxypiperidin-1-yl)methanone
SMILESCc1nc2ccc(C(=O)N3CCCC(OC(C)C)C3)cc2n1C
InChIInChI=1S/C18H25N3O2/c1-12(2)23-15-6-5-9-21(11-15)18(22)14-7-8-16-17(10-14)20(4)13(3)19-16/h7-8,10,12,15H,5-6,9,11H2,1-4H3
InChIKeyKQUZLDRHPMUFOI-UHFFFAOYSA-N
XLogP2.91
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,3-dimethylquinoxalin-6-yl)-(3-propan-2-yloxypiperidin-1-yl)methanone
CID 136549756
(1,2-dimethylbenzimidazol-5-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023368
(1,2-dimethylbenzimidazol-5-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 46981412
[4-(1,2-dimethylbenzimidazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
CID 110802064
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-quinoxalin-6-ylmethanone
CID 122257971
(1,2-dimethylbenzimidazol-5-yl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95759028
[3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-quinoxalin-6-ylmethanone
CID 91628208
(3-methoxypiperidin-1-yl)-(3-methylphenyl)methanone
CID 122545527
(3-ethoxypiperidin-1-yl)-quinoxalin-6-ylmethanone
CID 16734283
[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-quinoxalin-6-ylmethanone
CID 122260430
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 91947140
N-[1-(1,2-dimethylbenzimidazole-5-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 51101306

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylbenzimidazol-5-yl)-(3-propan-2-yloxypiperidin-1-yl)methanone?
The IUPAC name of (2,3-dimethylbenzimidazol-5-yl)-(3-propan-2-yloxypiperidin-1-yl)methanone (CID 138003180) is (2,3-dimethylbenzimidazol-5-yl)-(3-propan-2-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (2,3-dimethylbenzimidazol-5-yl)-(3-propan-2-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (2,3-dimethylbenzimidazol-5-yl)-(3-propan-2-yloxypiperidin-1-yl)methanone is Cc1nc2ccc(C(=O)N3CCCC(OC(C)C)C3)cc2n1C.
What is the InChIKey of (2,3-dimethylbenzimidazol-5-yl)-(3-propan-2-yloxypiperidin-1-yl)methanone?
The InChIKey is KQUZLDRHPMUFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-12(2)23-15-6-5-9-21(11-15)18(22)14-7-8-16-17(10-14)20(4)13(3)19-16/h7-8,10,12,15H,5-6,9,11H2,1-4H3.
What are the key properties of (2,3-dimethylbenzimidazol-5-yl)-(3-propan-2-yloxypiperidin-1-yl)methanone?
(2,3-dimethylbenzimidazol-5-yl)-(3-propan-2-yloxypiperidin-1-yl)methanone has a molecular weight of 315.42 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylbenzimidazol-5-yl)-(3-propan-2-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 138003180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).