N-[2-[1-[3-fluoro-5-(trifluoromethyl)phenyl]ethylamino]-1H-benzimidazol-4-yl]acetamide

C18H16F4N4O — CID 71656922

IUPACN-[2-[1-[3-fluoro-5-(trifluoromethyl)phenyl]ethylamino]-1H-benzimidazol-4-yl]acetamide
SMILESCC(=O)Nc1cccc2[nH]c(NC(C)c3cc(F)cc(C(F)(F)F)c3)nc12
InChIInChI=1S/C18H16F4N4O/c1-9(11-6-12(18(20,21)22)8-13(19)7-11)23-17-25-15-5-3-4-14(16(15)26-17)24-10(2)27/h3-9H,1-2H3,(H,24,27)(H2,23,25,26)
InChIKeyMTKDMAMLLGFBLM-UHFFFAOYSA-N
MW380.35 g/mol
LogP4.85
Rot. Bonds4

About N-[2-[1-[3-fluoro-5-(trifluoromethyl)phenyl]ethylamino]-1H-benzimidazol-4-yl]acetamide

N-[2-[1-[3-fluoro-5-(trifluoromethyl)phenyl]ethylamino]-1H-benzimidazol-4-yl]acetamide (PubChem CID 71656922) has the molecular formula C18H16F4N4O and a molecular weight of 380.35 g/mol. Its IUPAC name is N-[2-[1-[3-fluoro-5-(trifluoromethyl)phenyl]ethylamino]-1H-benzimidazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-[1-[3-fluoro-5-(trifluoromethyl)phenyl]ethylamino]-1H-benzimidazol-4-yl]acetamide
PubChem CID71656922
Molecular FormulaC18H16F4N4O
Molecular Weight380.35 g/mol
Exact Mass380.13
IUPAC NameN-[2-[1-[3-fluoro-5-(trifluoromethyl)phenyl]ethylamino]-1H-benzimidazol-4-yl]acetamide
SMILESCC(=O)Nc1cccc2[nH]c(NC(C)c3cc(F)cc(C(F)(F)F)c3)nc12
InChIInChI=1S/C18H16F4N4O/c1-9(11-6-12(18(20,21)22)8-13(19)7-11)23-17-25-15-5-3-4-14(16(15)26-17)24-10(2)27/h3-9H,1-2H3,(H,24,27)(H2,23,25,26)
InChIKeyMTKDMAMLLGFBLM-UHFFFAOYSA-N
XLogP4.85
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2-[1-[3-fluoro-5-(trifluoromethyl)phenyl]ethylamino]-1H-benzimidazol-4-yl]acetamide 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

N-[2-[[(1S)-1-(3-methylphenyl)ethyl]amino]-1H-benzimidazol-4-yl]acetamide
CID 71657109
(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine
CID 118492024
2-(1H-benzimidazol-2-ylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 130366252
N-(cyanomethyl)-N-ethyl-3-[[4-(hydroxymethyl)-1H-benzimidazol-2-yl]amino]-3-[3-(trifluoromethyl)phenyl]propanamide
CID 130366067
(S)-N-[(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 118492083
8-acetamido-N-[(1R)-1-(4-fluorophenyl)ethyl]quinoline-4-carboxamide
CID 95097428
2-N-[3,5-bis(trifluoromethyl)phenyl]-6-N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyridine-2,6-dicarboxamide
CID 122364413
N-[2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1H-benzimidazol-4-yl]acetamide
CID 71657009
N-[2-(3-chloro-N-methylanilino)-1H-benzimidazol-4-yl]acetamide
CID 71656918
3-fluoro-N-(1-naphthalen-2-ylethyl)-5-(trifluoromethyl)benzamide
CID 70693309
2-bromo-5-fluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 107633051
ethyl 5-fluoro-2-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxylate
CID 168908312

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[3-fluoro-5-(trifluoromethyl)phenyl]ethylamino]-1H-benzimidazol-4-yl]acetamide?
The IUPAC name of N-[2-[1-[3-fluoro-5-(trifluoromethyl)phenyl]ethylamino]-1H-benzimidazol-4-yl]acetamide (CID 71656922) is N-[2-[1-[3-fluoro-5-(trifluoromethyl)phenyl]ethylamino]-1H-benzimidazol-4-yl]acetamide.
What is the SMILES notation for N-[2-[1-[3-fluoro-5-(trifluoromethyl)phenyl]ethylamino]-1H-benzimidazol-4-yl]acetamide?
The canonical SMILES for N-[2-[1-[3-fluoro-5-(trifluoromethyl)phenyl]ethylamino]-1H-benzimidazol-4-yl]acetamide is CC(=O)Nc1cccc2[nH]c(NC(C)c3cc(F)cc(C(F)(F)F)c3)nc12.
What is the InChIKey of N-[2-[1-[3-fluoro-5-(trifluoromethyl)phenyl]ethylamino]-1H-benzimidazol-4-yl]acetamide?
The InChIKey is MTKDMAMLLGFBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N4O/c1-9(11-6-12(18(20,21)22)8-13(19)7-11)23-17-25-15-5-3-4-14(16(15)26-17)24-10(2)27/h3-9H,1-2H3,(H,24,27)(H2,23,25,26).
What are the key properties of N-[2-[1-[3-fluoro-5-(trifluoromethyl)phenyl]ethylamino]-1H-benzimidazol-4-yl]acetamide?
N-[2-[1-[3-fluoro-5-(trifluoromethyl)phenyl]ethylamino]-1H-benzimidazol-4-yl]acetamide has a molecular weight of 380.35 g/mol, XLogP of 4.85, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[3-fluoro-5-(trifluoromethyl)phenyl]ethylamino]-1H-benzimidazol-4-yl]acetamide is sourced from PubChem (CID 71656922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).