[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone

C21H22FN3O2 — CID 1469455

IUPAC[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(n3c(C)nc4cc(F)ccc43)CC2)cc1
InChIInChI=1S/C21H22FN3O2/c1-14-23-19-13-16(22)5-8-20(19)25(14)17-9-11-24(12-10-17)21(26)15-3-6-18(27-2)7-4-15/h3-8,13,17H,9-12H2,1-2H3
InChIKeyANWMXLQMBRINAP-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.97
Rot. Bonds3

About [4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone

[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 1469455) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is [4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID1469455
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(n3c(C)nc4cc(F)ccc43)CC2)cc1
InChIInChI=1S/C21H22FN3O2/c1-14-23-19-13-16(22)5-8-20(19)25(14)17-9-11-24(12-10-17)21(26)15-3-6-18(27-2)7-4-15/h3-8,13,17H,9-12H2,1-2H3
InChIKeyANWMXLQMBRINAP-UHFFFAOYSA-N
XLogP3.97
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-(4-methoxyphenyl)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

Benzoimidazol-1-YL-(4-methoxy-phenyl)-methanone
CID 710646
1-(4-methoxybenzyl)-2-(4-methoxyphenyl)-1H-benzo(d)imidazole
CID 746182
Mchb-1
CID 44561533
2-{4-[3-(dimethylamino)propoxy]phenyl}-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4H)-one
CID 10292240
[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
N-1H-Benzimidazol-2-yl-4-methoxybenzamide
CID 2081294
[1-(4-Methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
CID 3474778
Ketone, 1-(2-(diethylamino)ethyl)-2-(p-ethoxybenzyl)-5-benzimidazolyl methyl
CID 25957
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-4-methoxybenzamide
CID 25190504
1-benzyl-4-{1-[2-(4-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one
CID 4754175
2-(4-ethoxybenzyl)-1-(cyclopentylmethyl)-N,N-diethyl-1H-benzo[d]imidazole-5-carboxamide
CID 24863434

Frequently Asked Questions

What is the IUPAC name of [4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone (CID 1469455) is [4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCC(n3c(C)nc4cc(F)ccc43)CC2)cc1.
What is the InChIKey of [4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is ANWMXLQMBRINAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-14-23-19-13-16(22)5-8-20(19)25(14)17-9-11-24(12-10-17)21(26)15-3-6-18(27-2)7-4-15/h3-8,13,17H,9-12H2,1-2H3.
What are the key properties of [4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone?
[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 367.42 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 1469455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).