1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea

C16H13F3N4O — CID 165053769

IUPAC1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESC=C1Nc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2N1
InChIInChI=1S/C16H13F3N4O/c1-9-20-13-6-5-12(8-14(13)21-9)23-15(24)22-11-4-2-3-10(7-11)16(17,18)19/h2-8,20-21H,1H2,(H2,22,23,24)
InChIKeyMVPPFISYEDQPFF-UHFFFAOYSA-N
MW334.30 g/mol
LogP4.66
Rot. Bonds2

About 1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea

1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 165053769) has the molecular formula C16H13F3N4O and a molecular weight of 334.30 g/mol. Its IUPAC name is 1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID165053769
Molecular FormulaC16H13F3N4O
Molecular Weight334.30 g/mol
Exact Mass334.10
IUPAC Name1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESC=C1Nc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2N1
InChIInChI=1S/C16H13F3N4O/c1-9-20-13-6-5-12(8-14(13)21-9)23-15(24)22-11-4-2-3-10(7-11)16(17,18)19/h2-8,20-21H,1H2,(H2,22,23,24)
InChIKeyMVPPFISYEDQPFF-UHFFFAOYSA-N
XLogP4.66
TPSA65.19 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 54.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 970620
1-(3,4-dihydroxyphenyl)-3-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)urea
CID 165014857
1-(4-bromophenyl)-3-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)urea
CID 165003152
1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
CID 4106892
1-[3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]urea
CID 2305670
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
1-(4-benzoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 134095686
1-[3-(trifluoromethyl)phenyl]-3-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 90486688
1-(4-pyrrolidin-1-ylsulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 135144041
2-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid
CID 10268726
1-(2-sulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 108886280

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea (CID 165053769) is 1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea is C=C1Nc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2N1.
What is the InChIKey of 1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is MVPPFISYEDQPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O/c1-9-20-13-6-5-12(8-14(13)21-9)23-15(24)22-11-4-2-3-10(7-11)16(17,18)19/h2-8,20-21H,1H2,(H2,22,23,24).
What are the key properties of 1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea?
1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 334.30 g/mol, XLogP of 4.66, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 165053769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).