1-[1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea

C17H15F3N4O — CID 2906148

IUPAC1-[1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCC(NC(=O)Nc1cccc(C(F)(F)F)c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H15F3N4O/c1-10(15-23-13-7-2-3-8-14(13)24-15)21-16(25)22-12-6-4-5-11(9-12)17(18,19)20/h2-10H,1H3,(H,23,24)(H2,21,22,25)
InChIKeyVAHBTIZXWOIGJP-UHFFFAOYSA-N
MW348.33 g/mol
LogP4.46
Rot. Bonds3

About 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea

1-[1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 2906148) has the molecular formula C17H15F3N4O and a molecular weight of 348.33 g/mol. Its IUPAC name is 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID2906148
Molecular FormulaC17H15F3N4O
Molecular Weight348.33 g/mol
Exact Mass348.12
IUPAC Name1-[1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCC(NC(=O)Nc1cccc(C(F)(F)F)c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H15F3N4O/c1-10(15-23-13-7-2-3-8-14(13)24-15)21-16(25)22-12-6-4-5-11(9-12)17(18,19)20/h2-10H,1H3,(H,23,24)(H2,21,22,25)
InChIKeyVAHBTIZXWOIGJP-UHFFFAOYSA-N
XLogP4.46
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 55380927
N-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]-2-fluorophenyl]acetamide
CID 86988262
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-3-ylurea
CID 18129110
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 86988041
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
CID 23548549
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-naphthalen-1-ylurea
CID 18144661
2-[4-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]phenyl]-N-methylacetamide
CID 86988501
1-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 78888129
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(propanoylamino)benzamide
CID 60509786
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
(2R)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]propanoic acid
CID 78972964
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751239

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 2906148) is 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea is CC(NC(=O)Nc1cccc(C(F)(F)F)c1)c1nc2ccccc2[nH]1.
What is the InChIKey of 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is VAHBTIZXWOIGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O/c1-10(15-23-13-7-2-3-8-14(13)24-15)21-16(25)22-12-6-4-5-11(9-12)17(18,19)20/h2-10H,1H3,(H,23,24)(H2,21,22,25).
What are the key properties of 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 348.33 g/mol, XLogP of 4.46, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 2906148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).