4-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-1,3-dihydrobenzimidazol-2-one

C16H13N5O — CID 167843149

IUPAC4-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-1,3-dihydrobenzimidazol-2-one
SMILESCn1nc(-c2ccccc2)nc1-c1cccc2[nH]c(=O)[nH]c12
InChIInChI=1S/C16H13N5O/c1-21-15(19-14(20-21)10-6-3-2-4-7-10)11-8-5-9-12-13(11)18-16(22)17-12/h2-9H,1H3,(H2,17,18,22)
InChIKeyMCTYPOQOWPGEKC-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.32
Rot. Bonds2

About 4-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-1,3-dihydrobenzimidazol-2-one

4-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 167843149) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name4-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-1,3-dihydrobenzimidazol-2-one
PubChem CID167843149
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name4-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-1,3-dihydrobenzimidazol-2-one
SMILESCn1nc(-c2ccccc2)nc1-c1cccc2[nH]c(=O)[nH]c12
InChIInChI=1S/C16H13N5O/c1-21-15(19-14(20-21)10-6-3-2-4-7-10)11-8-5-9-12-13(11)18-16(22)17-12/h2-9H,1H3,(H2,17,18,22)
InChIKeyMCTYPOQOWPGEKC-UHFFFAOYSA-N
XLogP2.32
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline
CID 62947082
3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline
CID 62721289
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-dihydrobenzimidazol-2-one
CID 138028899
4-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]-1,3-dihydrobenzimidazol-2-one
CID 146146740
4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydrobenzimidazol-2-one
CID 146146742
3-[1-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]-1H-indole;hydrochloride
CID 163988747
6-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine
CID 114287525
5-(1-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-2-phenylpyrimidine
CID 59252470
2-methyl-5-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline
CID 62733002
ethyl 2-methyl-5-phenyl-1,2,4-triazole-3-carboxylate
CID 63355763
3-dibenzothiophen-4-yl-1-methyl-5-phenyl-1,2,4-triazole
CID 121344276
3-phenyl-4H-[1,2]oxazolo[4,5-d]pyrimidine-5,7-dione
CID 134908518

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 4-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-1,3-dihydrobenzimidazol-2-one (CID 167843149) is 4-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 4-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 4-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-1,3-dihydrobenzimidazol-2-one is Cn1nc(-c2ccccc2)nc1-c1cccc2[nH]c(=O)[nH]c12.
What is the InChIKey of 4-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is MCTYPOQOWPGEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-21-15(19-14(20-21)10-6-3-2-4-7-10)11-8-5-9-12-13(11)18-16(22)17-12/h2-9H,1H3,(H2,17,18,22).
What are the key properties of 4-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-1,3-dihydrobenzimidazol-2-one?
4-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 291.31 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 167843149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).