4-(2-amino-5-methyl-3-pyridinyl)-1,3-dihydrobenzimidazol-2-one

C13H12N4O — CID 155494493

IUPAC4-(2-amino-5-methyl-3-pyridinyl)-1,3-dihydrobenzimidazol-2-one
SMILESCc1cnc(N)c(-c2cccc3[nH]c(=O)[nH]c23)c1
InChIInChI=1S/C13H12N4O/c1-7-5-9(12(14)15-6-7)8-3-2-4-10-11(8)17-13(18)16-10/h2-6H,1H3,(H2,14,15)(H2,16,17,18)
InChIKeyQDARWSUROYZGTB-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.81
Rot. Bonds1

About 4-(2-amino-5-methyl-3-pyridinyl)-1,3-dihydrobenzimidazol-2-one

4-(2-amino-5-methyl-3-pyridinyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 155494493) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-(2-amino-5-methyl-3-pyridinyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name4-(2-amino-5-methyl-3-pyridinyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID155494493
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name4-(2-amino-5-methyl-3-pyridinyl)-1,3-dihydrobenzimidazol-2-one
SMILESCc1cnc(N)c(-c2cccc3[nH]c(=O)[nH]c23)c1
InChIInChI=1S/C13H12N4O/c1-7-5-9(12(14)15-6-7)8-3-2-4-10-11(8)17-13(18)16-10/h2-6H,1H3,(H2,14,15)(H2,16,17,18)
InChIKeyQDARWSUROYZGTB-UHFFFAOYSA-N
XLogP1.81
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminophenyl)-5-methylpyridin-2-amine
CID 143431930
3-(2-fluorophenyl)-5-methylpyridin-2-amine
CID 46311847
4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydrobenzimidazol-2-one
CID 146146742
4-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-1,3-dihydrobenzimidazol-2-one
CID 167843149
5-methyl-3-(2-methylthiophen-3-yl)pyridin-2-amine
CID 102837431
3-(4-fluorophenyl)-5-methylpyridin-2-amine;hydrochloride
CID 69015794
6-amino-1,3-dihydrobenzo[e]benzimidazol-2-one
CID 45078064
5-methyl-3-(2H-tetrazol-5-yl)pyridin-2-amine
CID 14200810
6-(2-amino-5-methyl-3-pyridinyl)-3,4-dihydro-2H-isoquinolin-1-one
CID 134451454
5-amino-4-methyl-1,3-dihydrobenzimidazol-2-one
CID 45078283
4-(aminomethyl)-1,3-dihydrobenzimidazol-2-one
CID 22745267
2-[3-(2-amino-5-methyl-3-pyridinyl)phenyl]acetic acid
CID 155500382

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-methyl-3-pyridinyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 4-(2-amino-5-methyl-3-pyridinyl)-1,3-dihydrobenzimidazol-2-one (CID 155494493) is 4-(2-amino-5-methyl-3-pyridinyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 4-(2-amino-5-methyl-3-pyridinyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 4-(2-amino-5-methyl-3-pyridinyl)-1,3-dihydrobenzimidazol-2-one is Cc1cnc(N)c(-c2cccc3[nH]c(=O)[nH]c23)c1.
What is the InChIKey of 4-(2-amino-5-methyl-3-pyridinyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is QDARWSUROYZGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-7-5-9(12(14)15-6-7)8-3-2-4-10-11(8)17-13(18)16-10/h2-6H,1H3,(H2,14,15)(H2,16,17,18).
What are the key properties of 4-(2-amino-5-methyl-3-pyridinyl)-1,3-dihydrobenzimidazol-2-one?
4-(2-amino-5-methyl-3-pyridinyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 240.27 g/mol, XLogP of 1.81, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-methyl-3-pyridinyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 155494493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).