5-[(4-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one

C15H15N3O — CID 755955

IUPAC5-[(4-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
SMILESCc1ccc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C15H15N3O/c1-10-2-4-11(5-3-10)9-16-12-6-7-13-14(8-12)18-15(19)17-13/h2-8,16H,9H2,1H3,(H2,17,18,19)
InChIKeyXJFVNVRJWZHGQB-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.78
Rot. Bonds3

About 5-[(4-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one

5-[(4-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 755955) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 5-[(4-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(4-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
PubChem CID755955
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name5-[(4-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
SMILESCc1ccc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C15H15N3O/c1-10-2-4-11(5-3-10)9-16-12-6-7-13-14(8-12)18-15(19)17-13/h2-8,16H,9H2,1H3,(H2,17,18,19)
InChIKeyXJFVNVRJWZHGQB-UHFFFAOYSA-N
XLogP2.78
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_A(5)', 'substructure': 'N/A'}

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Related Compounds

5-[(3,5-dimethylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 60688526
5-[(2,4,6-trimethylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 28622210
5-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1,3-dihydrobenzimidazol-2-one
CID 17057906
5-[[3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]-1,3-dihydrobenzimidazol-2-one
CID 17057913
5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 43644891
5-[(3-chloro-4-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 81143259
4-methyl-N-[[4-[(4-methylanilino)methyl]phenyl]methyl]aniline
CID 3313778
5-[(4-fluoro-2-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 62125418
2-methyl-5-[(4-methylphenyl)methylamino]isoindole-1,3-dione
CID 10755204
5-(2-methylbutylamino)-1,3-dihydrobenzimidazol-2-one
CID 43201929
N-[(4-methylphenyl)methyl]-1H-indol-5-amine
CID 28662234
methyl 2,2-dimethyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propanoate
CID 115233592

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(4-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one (CID 755955) is 5-[(4-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(4-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(4-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one is Cc1ccc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc1.
What is the InChIKey of 5-[(4-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is XJFVNVRJWZHGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10-2-4-11(5-3-10)9-16-12-6-7-13-14(8-12)18-15(19)17-13/h2-8,16H,9H2,1H3,(H2,17,18,19).
What are the key properties of 5-[(4-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one?
5-[(4-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 253.31 g/mol, XLogP of 2.78, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 755955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).