1-[3-(aminomethyl)phenyl]-3-methylbenzimidazol-2-one

C15H15N3O — CID 82513929

IUPAC1-[3-(aminomethyl)phenyl]-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(-c2cccc(CN)c2)c2ccccc21
InChIInChI=1S/C15H15N3O/c1-17-13-7-2-3-8-14(13)18(15(17)19)12-6-4-5-11(9-12)10-16/h2-9H,10,16H2,1H3
InChIKeyMOHPOCDDCWTCAN-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.79
Rot. Bonds2

About 1-[3-(aminomethyl)phenyl]-3-methylbenzimidazol-2-one

1-[3-(aminomethyl)phenyl]-3-methylbenzimidazol-2-one (PubChem CID 82513929) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-3-methylbenzimidazol-2-one
PubChem CID82513929
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name1-[3-(aminomethyl)phenyl]-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(-c2cccc(CN)c2)c2ccccc21
InChIInChI=1S/C15H15N3O/c1-17-13-7-2-3-8-14(13)18(15(17)19)12-6-4-5-11(9-12)10-16/h2-9H,10,16H2,1H3
InChIKeyMOHPOCDDCWTCAN-UHFFFAOYSA-N
XLogP1.79
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminophenyl)-3-methylbenzimidazol-2-one
CID 82513370
1-[4-(2-aminoethyl)phenyl]-3-methylbenzimidazol-2-one
CID 82514426
1-[3-(aminomethyl)phenyl]-3,4-dimethylimidazolidin-2-one
CID 116981908
[3-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methanamine
CID 82513418
2-[3-(aminomethyl)phenyl]-5-methyl-4H-pyrazol-3-one
CID 82506511
3-(3-fluorophenyl)-1-methylquinazoline-2,4-dione
CID 56697661
1-[4-ethenyl-3-(methylamino)phenyl]-3-methylbenzimidazol-2-one
CID 167056336
1,3-diphenylbenzimidazol-2-one
CID 22323486
3-[3-(aminomethyl)phenyl]-5-methyl-1,3-oxazolidin-2-one
CID 105458801
3-[3-(aminomethyl)phenyl]-1-ethylimidazolidine-2,4-dione
CID 80578981
1-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridin-2-one
CID 151308963
[3-(4-propylpiperazin-1-yl)phenyl]methanamine
CID 102813325

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-3-methylbenzimidazol-2-one?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-3-methylbenzimidazol-2-one (CID 82513929) is 1-[3-(aminomethyl)phenyl]-3-methylbenzimidazol-2-one.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-3-methylbenzimidazol-2-one?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-3-methylbenzimidazol-2-one is Cn1c(=O)n(-c2cccc(CN)c2)c2ccccc21.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-3-methylbenzimidazol-2-one?
The InChIKey is MOHPOCDDCWTCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-17-13-7-2-3-8-14(13)18(15(17)19)12-6-4-5-11(9-12)10-16/h2-9H,10,16H2,1H3.
What are the key properties of 1-[3-(aminomethyl)phenyl]-3-methylbenzimidazol-2-one?
1-[3-(aminomethyl)phenyl]-3-methylbenzimidazol-2-one has a molecular weight of 253.31 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-3-methylbenzimidazol-2-one is sourced from PubChem (CID 82513929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).