3-(1-benzhydrylpiperidin-4-yl)-1,2-dihydrobenzimidazole

C25H27N3 — CID 141033629

IUPAC3-(1-benzhydrylpiperidin-4-yl)-1,2-dihydrobenzimidazole
SMILESc1ccc(C(c2ccccc2)N2CCC(N3CNc4ccccc43)CC2)cc1
InChIInChI=1S/C25H27N3/c1-3-9-20(10-4-1)25(21-11-5-2-6-12-21)27-17-15-22(16-18-27)28-19-26-23-13-7-8-14-24(23)28/h1-14,22,25-26H,15-19H2
InChIKeyXNPLJKJWPDMFOS-UHFFFAOYSA-N
MW369.51 g/mol
LogP5.13
Rot. Bonds4

About 3-(1-benzhydrylpiperidin-4-yl)-1,2-dihydrobenzimidazole

3-(1-benzhydrylpiperidin-4-yl)-1,2-dihydrobenzimidazole (PubChem CID 141033629) has the molecular formula C25H27N3 and a molecular weight of 369.51 g/mol. Its IUPAC name is 3-(1-benzhydrylpiperidin-4-yl)-1,2-dihydrobenzimidazole.

Molecular Properties

Compound Name3-(1-benzhydrylpiperidin-4-yl)-1,2-dihydrobenzimidazole
PubChem CID141033629
Molecular FormulaC25H27N3
Molecular Weight369.51 g/mol
Exact Mass369.22
IUPAC Name3-(1-benzhydrylpiperidin-4-yl)-1,2-dihydrobenzimidazole
SMILESc1ccc(C(c2ccccc2)N2CCC(N3CNc4ccccc43)CC2)cc1
InChIInChI=1S/C25H27N3/c1-3-9-20(10-4-1)25(21-11-5-2-6-12-21)27-17-15-22(16-18-27)28-19-26-23-13-7-8-14-24(23)28/h1-14,22,25-26H,15-19H2
InChIKeyXNPLJKJWPDMFOS-UHFFFAOYSA-N
XLogP5.13
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1-benzhydrylpiperidin-4-yl)-1,2-dihydrobenzimidazole 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

3-(1-benzhydrylpiperidin-4-yl)-2H-benzimidazole-1-carbaldehyde
CID 174442153
4-cyclopentyl-2,3-dihydro-1H-quinoxaline
CID 71683750
1-benzhydrylpiperidin-4-amine;cyclobutane
CID 18425735
4-cyclohexyl-2,3-dihydro-1H-quinoxaline
CID 105470427
6-(1-benzhydrylpiperidin-4-yl)-7,8-dihydro-5H-1,6-naphthyridine
CID 164880569
7-(1-benzhydrylpiperidin-4-yl)-6,8-dihydro-5H-1,7-naphthyridine
CID 164880666
3-[1-[2-(2-ethoxyethoxy)ethyl]pyrrolidin-3-yl]-1,2-dihydrobenzimidazole
CID 141196850
4-(3,4-dihydro-2H-quinoxalin-1-yl)cyclohexane-1-carboxylic acid
CID 117030843
3-[1-[[4-(6-phenyl-3-pyridin-4-yl-1,2,4-triazin-5-yl)phenyl]methyl]piperidin-4-yl]-1,2-dihydrobenzimidazole
CID 67109728
5,6,6a,7,8,9,10,11-octahydroazepino[1,2-a]quinoxaline
CID 10488339
(5-bromo-4-methyl-1H-indol-2-yl)-[4-(2,3-dihydrobenzimidazol-1-yl)piperidin-1-yl]methanone
CID 174599126
1-benzhydryl-4-methylpiperazine
CID 6726

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzhydrylpiperidin-4-yl)-1,2-dihydrobenzimidazole?
The IUPAC name of 3-(1-benzhydrylpiperidin-4-yl)-1,2-dihydrobenzimidazole (CID 141033629) is 3-(1-benzhydrylpiperidin-4-yl)-1,2-dihydrobenzimidazole.
What is the SMILES notation for 3-(1-benzhydrylpiperidin-4-yl)-1,2-dihydrobenzimidazole?
The canonical SMILES for 3-(1-benzhydrylpiperidin-4-yl)-1,2-dihydrobenzimidazole is c1ccc(C(c2ccccc2)N2CCC(N3CNc4ccccc43)CC2)cc1.
What is the InChIKey of 3-(1-benzhydrylpiperidin-4-yl)-1,2-dihydrobenzimidazole?
The InChIKey is XNPLJKJWPDMFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3/c1-3-9-20(10-4-1)25(21-11-5-2-6-12-21)27-17-15-22(16-18-27)28-19-26-23-13-7-8-14-24(23)28/h1-14,22,25-26H,15-19H2.
What are the key properties of 3-(1-benzhydrylpiperidin-4-yl)-1,2-dihydrobenzimidazole?
3-(1-benzhydrylpiperidin-4-yl)-1,2-dihydrobenzimidazole has a molecular weight of 369.51 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzhydrylpiperidin-4-yl)-1,2-dihydrobenzimidazole is sourced from PubChem (CID 141033629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).