1-[(2R)-2-ethylpiperidin-1-yl]-3-(1-phenylbenzimidazol-2-yl)propan-1-one

C23H27N3O — CID 52894444

IUPAC1-[(2R)-2-ethylpiperidin-1-yl]-3-(1-phenylbenzimidazol-2-yl)propan-1-one
SMILESCC[C@@H]1CCCCN1C(=O)CCc1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C23H27N3O/c1-2-18-10-8-9-17-25(18)23(27)16-15-22-24-20-13-6-7-14-21(20)26(22)19-11-4-3-5-12-19/h3-7,11-14,18H,2,8-10,15-17H2,1H3/t18-/m1/s1
InChIKeyDBZYIUSHRZIKBR-GOSISDBHSA-N
MW361.49 g/mol
LogP4.75
Rot. Bonds5

About 1-[(2R)-2-ethylpiperidin-1-yl]-3-(1-phenylbenzimidazol-2-yl)propan-1-one

1-[(2R)-2-ethylpiperidin-1-yl]-3-(1-phenylbenzimidazol-2-yl)propan-1-one (PubChem CID 52894444) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-[(2R)-2-ethylpiperidin-1-yl]-3-(1-phenylbenzimidazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-ethylpiperidin-1-yl]-3-(1-phenylbenzimidazol-2-yl)propan-1-one
PubChem CID52894444
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name1-[(2R)-2-ethylpiperidin-1-yl]-3-(1-phenylbenzimidazol-2-yl)propan-1-one
SMILESCC[C@@H]1CCCCN1C(=O)CCc1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C23H27N3O/c1-2-18-10-8-9-17-25(18)23(27)16-15-22-24-20-13-6-7-14-21(20)26(22)19-11-4-3-5-12-19/h3-7,11-14,18H,2,8-10,15-17H2,1H3/t18-/m1/s1
InChIKeyDBZYIUSHRZIKBR-GOSISDBHSA-N
XLogP4.75
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2R)-2-ethylpiperidin-1-yl]-3-(1-phenylbenzimidazol-2-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(1-phenylbenzimidazol-2-yl)propan-1-one;hydrochloride
CID 119630899
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(1-phenylbenzimidazol-2-yl)propan-1-one;hydrochloride
CID 119434460
6-methyl-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]piperidine-3-carboxylic acid
CID 122114448
(3R)-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]piperidine-3-carboxylic acid
CID 129382470
3-(1-phenylbenzimidazol-2-yl)-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 52896555
(3R)-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 125134380
1-(2-ethylpiperidin-1-yl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylethanone
CID 4303296
1-(1,4-diazepan-1-yl)-3-(1-phenylbenzimidazol-2-yl)propan-1-one
CID 119414087
N-[(1R,2R)-2-methylcyclohexyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 40633314
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-(1-phenylbenzimidazol-2-yl)propan-1-one;hydrochloride
CID 119538394
(2-ethylpiperidin-1-yl)-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 112760191
4-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]benzoic acid
CID 82071367

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-ethylpiperidin-1-yl]-3-(1-phenylbenzimidazol-2-yl)propan-1-one?
The IUPAC name of 1-[(2R)-2-ethylpiperidin-1-yl]-3-(1-phenylbenzimidazol-2-yl)propan-1-one (CID 52894444) is 1-[(2R)-2-ethylpiperidin-1-yl]-3-(1-phenylbenzimidazol-2-yl)propan-1-one.
What is the SMILES notation for 1-[(2R)-2-ethylpiperidin-1-yl]-3-(1-phenylbenzimidazol-2-yl)propan-1-one?
The canonical SMILES for 1-[(2R)-2-ethylpiperidin-1-yl]-3-(1-phenylbenzimidazol-2-yl)propan-1-one is CC[C@@H]1CCCCN1C(=O)CCc1nc2ccccc2n1-c1ccccc1.
What is the InChIKey of 1-[(2R)-2-ethylpiperidin-1-yl]-3-(1-phenylbenzimidazol-2-yl)propan-1-one?
The InChIKey is DBZYIUSHRZIKBR-GOSISDBHSA-N. The full InChI is InChI=1S/C23H27N3O/c1-2-18-10-8-9-17-25(18)23(27)16-15-22-24-20-13-6-7-14-21(20)26(22)19-11-4-3-5-12-19/h3-7,11-14,18H,2,8-10,15-17H2,1H3/t18-/m1/s1.
What are the key properties of 1-[(2R)-2-ethylpiperidin-1-yl]-3-(1-phenylbenzimidazol-2-yl)propan-1-one?
1-[(2R)-2-ethylpiperidin-1-yl]-3-(1-phenylbenzimidazol-2-yl)propan-1-one has a molecular weight of 361.49 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-ethylpiperidin-1-yl]-3-(1-phenylbenzimidazol-2-yl)propan-1-one is sourced from PubChem (CID 52894444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).