(2-ethylpiperidin-1-yl)-(2-methyl-1-phenylbenzimidazol-5-yl)methanone

C22H25N3O — CID 112760191

IUPAC(2-ethylpiperidin-1-yl)-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
SMILESCCC1CCCCN1C(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1
InChIInChI=1S/C22H25N3O/c1-3-18-9-7-8-14-24(18)22(26)17-12-13-21-20(15-17)23-16(2)25(21)19-10-5-4-6-11-19/h4-6,10-13,15,18H,3,7-9,14H2,1-2H3
InChIKeyQTEAKSKWHNGDOF-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.74
Rot. Bonds3

About (2-ethylpiperidin-1-yl)-(2-methyl-1-phenylbenzimidazol-5-yl)methanone

(2-ethylpiperidin-1-yl)-(2-methyl-1-phenylbenzimidazol-5-yl)methanone (PubChem CID 112760191) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-(2-methyl-1-phenylbenzimidazol-5-yl)methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
PubChem CID112760191
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name(2-ethylpiperidin-1-yl)-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
SMILESCCC1CCCCN1C(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1
InChIInChI=1S/C22H25N3O/c1-3-18-9-7-8-14-24(18)22(26)17-12-13-21-20(15-17)23-16(2)25(21)19-10-5-4-6-11-19/h4-6,10-13,15,18H,3,7-9,14H2,1-2H3
InChIKeyQTEAKSKWHNGDOF-UHFFFAOYSA-N
XLogP4.74
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 40723608
1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone
CID 34838428
(2,3-dimethylquinoxalin-6-yl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 51711835
6-methyl-1-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperidine-3-carboxylic acid
CID 122113357
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7043247
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 119637364
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 25467592
(2-ethylpiperidin-1-yl)-(2-methyl-1,3-benzoxazol-5-yl)methanone
CID 110387974
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
cyclohexylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7171317
1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone
CID 3494565
(2-ethylpiperidin-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone
CID 109173607

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-(2-methyl-1-phenylbenzimidazol-5-yl)methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-(2-methyl-1-phenylbenzimidazol-5-yl)methanone (CID 112760191) is (2-ethylpiperidin-1-yl)-(2-methyl-1-phenylbenzimidazol-5-yl)methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-(2-methyl-1-phenylbenzimidazol-5-yl)methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-(2-methyl-1-phenylbenzimidazol-5-yl)methanone is CCC1CCCCN1C(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-(2-methyl-1-phenylbenzimidazol-5-yl)methanone?
The InChIKey is QTEAKSKWHNGDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-3-18-9-7-8-14-24(18)22(26)17-12-13-21-20(15-17)23-16(2)25(21)19-10-5-4-6-11-19/h4-6,10-13,15,18H,3,7-9,14H2,1-2H3.
What are the key properties of (2-ethylpiperidin-1-yl)-(2-methyl-1-phenylbenzimidazol-5-yl)methanone?
(2-ethylpiperidin-1-yl)-(2-methyl-1-phenylbenzimidazol-5-yl)methanone has a molecular weight of 347.46 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-(2-methyl-1-phenylbenzimidazol-5-yl)methanone is sourced from PubChem (CID 112760191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).