5-(2-amino-6-methylanilino)-1,3-dihydrobenzimidazol-2-one

C14H14N4O — CID 115125959

IUPAC5-(2-amino-6-methylanilino)-1,3-dihydrobenzimidazol-2-one
SMILESCc1cccc(N)c1Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H14N4O/c1-8-3-2-4-10(15)13(8)16-9-5-6-11-12(7-9)18-14(19)17-11/h2-7,16H,15H2,1H3,(H2,17,18,19)
InChIKeyCKOPWIUYLIKSRU-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.49
Rot. Bonds2

About 5-(2-amino-6-methylanilino)-1,3-dihydrobenzimidazol-2-one

5-(2-amino-6-methylanilino)-1,3-dihydrobenzimidazol-2-one (PubChem CID 115125959) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-(2-amino-6-methylanilino)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(2-amino-6-methylanilino)-1,3-dihydrobenzimidazol-2-one
PubChem CID115125959
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name5-(2-amino-6-methylanilino)-1,3-dihydrobenzimidazol-2-one
SMILESCc1cccc(N)c1Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H14N4O/c1-8-3-2-4-10(15)13(8)16-9-5-6-11-12(7-9)18-14(19)17-11/h2-7,16H,15H2,1H3,(H2,17,18,19)
InChIKeyCKOPWIUYLIKSRU-UHFFFAOYSA-N
XLogP2.49
TPSA86.70 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,2-diamine
CID 115125922
2-N-(3-ethylphenyl)-3-methylbenzene-1,2-diamine
CID 113333679
5-(2-amino-4-fluoroanilino)-1,3-dihydrobenzimidazol-2-one
CID 115124720
2-N-(3-chloro-4-methoxyphenyl)-3-methylbenzene-1,2-diamine
CID 113333668
2-N-(4-ethoxy-3-methylphenyl)-3-methylbenzene-1,2-diamine
CID 115125939
5-[(5-bromo-4-methyl-2-pyridinyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 115147001
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 55430703
4-amino-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]benzonitrile
CID 115127211
2-amino-4-(2,6-dimethylanilino)benzoic acid
CID 104500168
2-N-[3-bromo-4-(trifluoromethoxy)phenyl]-3-methylbenzene-1,2-diamine
CID 107335791
5-[1-(3,4-dimethylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one
CID 155113943
5-[(2,4,6-trimethylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 28622210

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-6-methylanilino)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(2-amino-6-methylanilino)-1,3-dihydrobenzimidazol-2-one (CID 115125959) is 5-(2-amino-6-methylanilino)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(2-amino-6-methylanilino)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(2-amino-6-methylanilino)-1,3-dihydrobenzimidazol-2-one is Cc1cccc(N)c1Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-(2-amino-6-methylanilino)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is CKOPWIUYLIKSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-8-3-2-4-10(15)13(8)16-9-5-6-11-12(7-9)18-14(19)17-11/h2-7,16H,15H2,1H3,(H2,17,18,19).
What are the key properties of 5-(2-amino-6-methylanilino)-1,3-dihydrobenzimidazol-2-one?
5-(2-amino-6-methylanilino)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 254.29 g/mol, XLogP of 2.49, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-6-methylanilino)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 115125959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).