[2-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]carbamic acid

C18H16F3N3O3 — CID 121471468

IUPAC[2-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]carbamic acid
SMILESCOc1ccc(CC(NC(=O)O)c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1
InChIInChI=1S/C18H16F3N3O3/c1-27-12-5-2-10(3-6-12)8-15(24-17(25)26)16-22-13-7-4-11(18(19,20)21)9-14(13)23-16/h2-7,9,15,24H,8H2,1H3,(H,22,23)(H,25,26)
InChIKeyHPRYJNOMJGEVLB-UHFFFAOYSA-N
MW379.34 g/mol
LogP4.14
Rot. Bonds5

About [2-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]carbamic acid

[2-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]carbamic acid (PubChem CID 121471468) has the molecular formula C18H16F3N3O3 and a molecular weight of 379.34 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]carbamic acid.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]carbamic acid
PubChem CID121471468
Molecular FormulaC18H16F3N3O3
Molecular Weight379.34 g/mol
Exact Mass379.11
IUPAC Name[2-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]carbamic acid
SMILESCOc1ccc(CC(NC(=O)O)c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1
InChIInChI=1S/C18H16F3N3O3/c1-27-12-5-2-10(3-6-12)8-15(24-17(25)26)16-22-13-7-4-11(18(19,20)21)9-14(13)23-16/h2-7,9,15,24H,8H2,1H3,(H,22,23)(H,25,26)
InChIKeyHPRYJNOMJGEVLB-UHFFFAOYSA-N
XLogP4.14
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [2-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]carbamic acid 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

tert-butyl N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]carbamate
CID 131748686
[1-(6-fluoro-1H-benzimidazol-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethyl]carbamic acid
CID 121471348
[4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]-N-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]anilino] acetate
CID 87970143
1-[(1R)-1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-[2-(4-chlorophenyl)propan-2-yl]urea
CID 121471482
(1R)-2-(4-methoxyphenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;bis(2,2,2-trifluoroacetic acid)
CID 117074664
N-[(4-methoxyphenyl)methyl]-1-[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methanamine
CID 44524536
1-[(1R)-1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 121471679
1-[1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 121471681
1-[(1R)-1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 121471282
1-[1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 121471284
1-[(1R)-1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-cyclopent-3-en-1-ylurea
CID 121471566
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanol
CID 604588

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]carbamic acid?
The IUPAC name of [2-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]carbamic acid (CID 121471468) is [2-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]carbamic acid.
What is the SMILES notation for [2-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]carbamic acid?
The canonical SMILES for [2-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]carbamic acid is COc1ccc(CC(NC(=O)O)c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]carbamic acid?
The InChIKey is HPRYJNOMJGEVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O3/c1-27-12-5-2-10(3-6-12)8-15(24-17(25)26)16-22-13-7-4-11(18(19,20)21)9-14(13)23-16/h2-7,9,15,24H,8H2,1H3,(H,22,23)(H,25,26).
What are the key properties of [2-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]carbamic acid?
[2-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]carbamic acid has a molecular weight of 379.34 g/mol, XLogP of 4.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]carbamic acid is sourced from PubChem (CID 121471468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).