1-ethyl-3-[(1-methyltriazol-4-yl)methyl]benzimidazol-2-one

C13H15N5O — CID 103866266

IUPAC1-ethyl-3-[(1-methyltriazol-4-yl)methyl]benzimidazol-2-one
SMILESCCn1c(=O)n(Cc2cn(C)nn2)c2ccccc21
InChIInChI=1S/C13H15N5O/c1-3-17-11-6-4-5-7-12(11)18(13(17)19)9-10-8-16(2)15-14-10/h4-8H,3,9H2,1-2H3
InChIKeyYWUWOOABPSQEKU-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.00
Rot. Bonds3

About 1-ethyl-3-[(1-methyltriazol-4-yl)methyl]benzimidazol-2-one

1-ethyl-3-[(1-methyltriazol-4-yl)methyl]benzimidazol-2-one (PubChem CID 103866266) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 1-ethyl-3-[(1-methyltriazol-4-yl)methyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(1-methyltriazol-4-yl)methyl]benzimidazol-2-one
PubChem CID103866266
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name1-ethyl-3-[(1-methyltriazol-4-yl)methyl]benzimidazol-2-one
SMILESCCn1c(=O)n(Cc2cn(C)nn2)c2ccccc21
InChIInChI=1S/C13H15N5O/c1-3-17-11-6-4-5-7-12(11)18(13(17)19)9-10-8-16(2)15-14-10/h4-8H,3,9H2,1-2H3
InChIKeyYWUWOOABPSQEKU-UHFFFAOYSA-N
XLogP1.00
TPSA57.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-3-ethylbenzimidazol-2-one
CID 22558159
2-methyl-1-[(1-methyltriazol-4-yl)methyl]indole
CID 107054349
1-ethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzimidazol-2-one
CID 115576185
5-amino-1-methyl-3-[(1-methyltriazol-4-yl)methyl]pyrimidine-2,4-dione
CID 107042848
1-ethyl-3-(2-ethylsulfonylethyl)benzimidazol-2-one
CID 115663107
7-ethyl-1-[(1-methyltriazol-4-yl)methyl]indole
CID 107054395
1-ethyl-3-(methoxymethyl)benzimidazol-2-one
CID 116621234
2-(3-ethyl-2-oxobenzimidazol-1-yl)acetaldehyde
CID 58710654
1-[(1-tert-butyltriazol-4-yl)methyl]-3-[(1-methyltriazol-4-yl)methyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]-1,3,5-triazinane-2,4,6-trione
CID 155097519
1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3-ethylbenzimidazol-2-one
CID 51074836
1-ethyl-5-[(1-methyltriazol-4-yl)methylamino]pyridin-2-one
CID 62755967
3-[(3-ethyl-2-oxobenzimidazol-1-yl)methyl]benzonitrile
CID 115576478

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(1-methyltriazol-4-yl)methyl]benzimidazol-2-one?
The IUPAC name of 1-ethyl-3-[(1-methyltriazol-4-yl)methyl]benzimidazol-2-one (CID 103866266) is 1-ethyl-3-[(1-methyltriazol-4-yl)methyl]benzimidazol-2-one.
What is the SMILES notation for 1-ethyl-3-[(1-methyltriazol-4-yl)methyl]benzimidazol-2-one?
The canonical SMILES for 1-ethyl-3-[(1-methyltriazol-4-yl)methyl]benzimidazol-2-one is CCn1c(=O)n(Cc2cn(C)nn2)c2ccccc21.
What is the InChIKey of 1-ethyl-3-[(1-methyltriazol-4-yl)methyl]benzimidazol-2-one?
The InChIKey is YWUWOOABPSQEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-3-17-11-6-4-5-7-12(11)18(13(17)19)9-10-8-16(2)15-14-10/h4-8H,3,9H2,1-2H3.
What are the key properties of 1-ethyl-3-[(1-methyltriazol-4-yl)methyl]benzimidazol-2-one?
1-ethyl-3-[(1-methyltriazol-4-yl)methyl]benzimidazol-2-one has a molecular weight of 257.30 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(1-methyltriazol-4-yl)methyl]benzimidazol-2-one is sourced from PubChem (CID 103866266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).