(5-fluoro-2-methoxyphenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone

C22H24FN3O2 — CID 45239286

IUPAC(5-fluoro-2-methoxyphenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
SMILESCOc1ccc(F)cc1C(=O)C1CCCN(Cc2nc3ccccc3n2C)C1
InChIInChI=1S/C22H24FN3O2/c1-25-19-8-4-3-7-18(19)24-21(25)14-26-11-5-6-15(13-26)22(27)17-12-16(23)9-10-20(17)28-2/h3-4,7-10,12,15H,5-6,11,13-14H2,1-2H3
InChIKeyGPWQMLHPZKNNRI-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.82
Rot. Bonds5

About (5-fluoro-2-methoxyphenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone

(5-fluoro-2-methoxyphenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone (PubChem CID 45239286) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
PubChem CID45239286
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name(5-fluoro-2-methoxyphenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
SMILESCOc1ccc(F)cc1C(=O)C1CCCN(Cc2nc3ccccc3n2C)C1
InChIInChI=1S/C22H24FN3O2/c1-25-19-8-4-3-7-18(19)24-21(25)14-26-11-5-6-15(13-26)22(27)17-12-16(23)9-10-20(17)28-2/h3-4,7-10,12,15H,5-6,11,13-14H2,1-2H3
InChIKeyGPWQMLHPZKNNRI-UHFFFAOYSA-N
XLogP3.82
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-fluoro-2-methoxyphenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone 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

3570-0208 [Pmid:19807662]
CID 3092570
[1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl][1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl]methanone
CID 10917690
N,N-diisopentyl-2-(4-methoxybenzoyl)-3-(3-(piperidin-1-yl)propyl)-3H-benzo[d]imidazole-5-carboxamide
CID 44432966
Ketone, 1-(2-(diethylamino)ethyl)-2-(p-ethoxybenzyl)-5-benzimidazolyl methyl
CID 25957
Aminoimidazo[1,2-a]pyridine deriv. 38
CID 5330617
Aminoimidazo[1,2-a]pyridine deriv. 10
CID 5330632
2-(1-Benzofuran-2-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]-1H-benzimidazole
CID 25208249
2-(4-ethoxybenzyl)-N,N-diethyl-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazole-5-carboxamide
CID 44561005
(2-Methoxyphenyl)-(1-methylbenzimidazol-2-yl)methanone
CID 711821
1-[(2-Methoxyphenyl)methyl]-2-propan-2-ylbenzimidazole
CID 830207
N-(2-benzyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-8-yl)-2-methoxybenzamide
CID 1509330
1-[4-(6-Fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 44522179

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone?
The IUPAC name of (5-fluoro-2-methoxyphenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone (CID 45239286) is (5-fluoro-2-methoxyphenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone is COc1ccc(F)cc1C(=O)C1CCCN(Cc2nc3ccccc3n2C)C1.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone?
The InChIKey is GPWQMLHPZKNNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-25-19-8-4-3-7-18(19)24-21(25)14-26-11-5-6-15(13-26)22(27)17-12-16(23)9-10-20(17)28-2/h3-4,7-10,12,15H,5-6,11,13-14H2,1-2H3.
What are the key properties of (5-fluoro-2-methoxyphenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone?
(5-fluoro-2-methoxyphenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone has a molecular weight of 381.45 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 45239286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).