1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-amine

C19H18FN5 — CID 22380200

IUPAC1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-amine
SMILESCCn1c(Cn2ccnc2-c2cccc(F)c2)nc2cc(N)ccc21
InChIInChI=1S/C19H18FN5/c1-2-25-17-7-6-15(21)11-16(17)23-18(25)12-24-9-8-22-19(24)13-4-3-5-14(20)10-13/h3-11H,2,12,21H2,1H3
InChIKeyKFHBQCNZZYETLY-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.69
Rot. Bonds4

About 1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-amine

1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-amine (PubChem CID 22380200) has the molecular formula C19H18FN5 and a molecular weight of 335.39 g/mol. Its IUPAC name is 1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-amine.

Molecular Properties

Compound Name1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-amine
PubChem CID22380200
Molecular FormulaC19H18FN5
Molecular Weight335.39 g/mol
Exact Mass335.15
IUPAC Name1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-amine
SMILESCCn1c(Cn2ccnc2-c2cccc(F)c2)nc2cc(N)ccc21
InChIInChI=1S/C19H18FN5/c1-2-25-17-7-6-15(21)11-16(17)23-18(25)12-24-9-8-22-19(24)13-4-3-5-14(20)10-13/h3-11H,2,12,21H2,1H3
InChIKeyKFHBQCNZZYETLY-UHFFFAOYSA-N
XLogP3.69
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-5-fluoro-2-[(2-phenylimidazol-1-yl)methyl]benzimidazole
CID 91256666
3-ethyl-5-fluoro-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]imidazo[4,5-b]pyridine
CID 20812067
1-ethyl-5-fluoro-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]benzimidazole
CID 22379969
1-ethyl-2-[[2-(3-methylphenyl)imidazol-1-yl]methyl]benzimidazole-5-carbonitrile
CID 22379915
2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-prop-2-ynylimidazo[4,5-b]pyridine
CID 22380244
2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-ethylbenzimidazole-5-carboxylic acid
CID 22380327
1-ethyl-2-(3-methylphenyl)benzimidazol-5-amine
CID 82382499
1-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]-5-(trifluoromethoxy)benzimidazole
CID 20811938
1-ethyl-2-[(2-pyridin-2-ylimidazol-1-yl)methyl]benzimidazole-5-carbonitrile
CID 22380091
3-[1-[(2,4-difluorophenyl)methyl]imidazol-2-yl]aniline
CID 62197808
1-ethyl-2-[[2-[6-(trifluoromethyl)-2-pyridinyl]imidazol-1-yl]methyl]benzimidazole
CID 70931583
2-[[2-(3,5-difluorophenyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridine
CID 22379933

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-amine?
The IUPAC name of 1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-amine (CID 22380200) is 1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-amine.
What is the SMILES notation for 1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-amine?
The canonical SMILES for 1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-amine is CCn1c(Cn2ccnc2-c2cccc(F)c2)nc2cc(N)ccc21.
What is the InChIKey of 1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-amine?
The InChIKey is KFHBQCNZZYETLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5/c1-2-25-17-7-6-15(21)11-16(17)23-18(25)12-24-9-8-22-19(24)13-4-3-5-14(20)10-13/h3-11H,2,12,21H2,1H3.
What are the key properties of 1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-amine?
1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-amine has a molecular weight of 335.39 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-amine is sourced from PubChem (CID 22380200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).