5-[amino-(2,4-dimethylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one

C16H17N3O — CID 43186829

IUPAC5-[amino-(2,4-dimethylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1ccc(C(N)c2ccc3[nH]c(=O)[nH]c3c2)c(C)c1
InChIInChI=1S/C16H17N3O/c1-9-3-5-12(10(2)7-9)15(17)11-4-6-13-14(8-11)19-16(20)18-13/h3-8,15H,17H2,1-2H3,(H2,18,19,20)
InChIKeySUFBSNYVBFPNQJ-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.52
Rot. Bonds2

About 5-[amino-(2,4-dimethylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one

5-[amino-(2,4-dimethylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 43186829) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-[amino-(2,4-dimethylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[amino-(2,4-dimethylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID43186829
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name5-[amino-(2,4-dimethylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1ccc(C(N)c2ccc3[nH]c(=O)[nH]c3c2)c(C)c1
InChIInChI=1S/C16H17N3O/c1-9-3-5-12(10(2)7-9)15(17)11-4-6-13-14(8-11)19-16(20)18-13/h3-8,15H,17H2,1-2H3,(H2,18,19,20)
InChIKeySUFBSNYVBFPNQJ-UHFFFAOYSA-N
XLogP2.52
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 5-[amino-(2,4-dimethylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2,4-dimethylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43483588
5-[amino-(5-fluoro-2-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 63048076
5-[amino-(2-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186842
5-[amino-(3-methoxy-4-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186872
5-(diaminomethyl)-1,3-dihydrobenzimidazol-2-one
CID 116939209
5-[amino-(2-fluoro-4-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 102882549
ethane;5-methyl-1,3-dihydrobenzimidazol-2-one
CID 90978639
5-[amino(phenyl)methyl]-6-methyl-1,3-dihydrobenzimidazol-2-one
CID 82174406
5-[amino-(4-bromophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186832
(2,4-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 62801842
(4-chlorophenyl)-(2,4-dimethylphenyl)methanamine
CID 43198498
5-(1-amino-2-methylpropyl)-1,3-dihydrobenzimidazol-2-one
CID 43186831

Frequently Asked Questions

What is the IUPAC name of 5-[amino-(2,4-dimethylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[amino-(2,4-dimethylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one (CID 43186829) is 5-[amino-(2,4-dimethylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[amino-(2,4-dimethylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[amino-(2,4-dimethylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one is Cc1ccc(C(N)c2ccc3[nH]c(=O)[nH]c3c2)c(C)c1.
What is the InChIKey of 5-[amino-(2,4-dimethylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is SUFBSNYVBFPNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-9-3-5-12(10(2)7-9)15(17)11-4-6-13-14(8-11)19-16(20)18-13/h3-8,15H,17H2,1-2H3,(H2,18,19,20).
What are the key properties of 5-[amino-(2,4-dimethylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[amino-(2,4-dimethylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 267.33 g/mol, XLogP of 2.52, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino-(2,4-dimethylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43186829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).