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

C15H15N3O2 — CID 43186842

IUPAC5-[amino-(2-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCOc1ccccc1C(N)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H15N3O2/c1-20-13-5-3-2-4-10(13)14(16)9-6-7-11-12(8-9)18-15(19)17-11/h2-8,14H,16H2,1H3,(H2,17,18,19)
InChIKeyRNFOUKPMXRORJL-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.91
Rot. Bonds3

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

5-[amino-(2-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 43186842) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-[amino-(2-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[amino-(2-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID43186842
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name5-[amino-(2-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCOc1ccccc1C(N)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H15N3O2/c1-20-13-5-3-2-4-10(13)14(16)9-6-7-11-12(8-9)18-15(19)17-11/h2-8,14H,16H2,1H3,(H2,17,18,19)
InChIKeyRNFOUKPMXRORJL-UHFFFAOYSA-N
XLogP1.91
TPSA83.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[amino-(3-methoxy-4-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186872
5-[amino-(2-fluoro-4-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 102882549
5-[1-chloro-2-(2-methoxyphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 61084951
5-[amino-(2,4-dimethylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186829
(2-methoxyphenyl)-naphthalen-2-ylmethanamine
CID 62715547
5-[(1S)-1-[(2-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 95938822
6-[amino-(2-chlorophenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43097312
5-(diaminomethyl)-1,3-dihydrobenzimidazol-2-one
CID 116939209
5-[amino-(4-bromophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186832
5-(1-amino-2-methylpropyl)-1,3-dihydrobenzimidazol-2-one
CID 43186831
(4-chloro-3-fluorophenyl)-(2-methoxyphenyl)methanamine
CID 107991958
(2-methoxyphenyl)-(5-methylthiophen-3-yl)methanamine
CID 65104269

Frequently Asked Questions

What is the IUPAC name of 5-[amino-(2-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[amino-(2-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one (CID 43186842) is 5-[amino-(2-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[amino-(2-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[amino-(2-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one is COc1ccccc1C(N)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[amino-(2-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is RNFOUKPMXRORJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-20-13-5-3-2-4-10(13)14(16)9-6-7-11-12(8-9)18-15(19)17-11/h2-8,14H,16H2,1H3,(H2,17,18,19).
What are the key properties of 5-[amino-(2-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[amino-(2-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 269.30 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino-(2-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43186842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).