2-(methoxymethyl)-3-methylbenzimidazol-5-amine

C10H13N3O — CID 91560563

IUPAC2-(methoxymethyl)-3-methylbenzimidazol-5-amine
SMILESCOCc1nc2ccc(N)cc2n1C
InChIInChI=1S/C10H13N3O/c1-13-9-5-7(11)3-4-8(9)12-10(13)6-14-2/h3-5H,6,11H2,1-2H3
InChIKeyXRILYTHNERPFMQ-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.30
Rot. Bonds2

About 2-(methoxymethyl)-3-methylbenzimidazol-5-amine

2-(methoxymethyl)-3-methylbenzimidazol-5-amine (PubChem CID 91560563) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(methoxymethyl)-3-methylbenzimidazol-5-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-3-methylbenzimidazol-5-amine
PubChem CID91560563
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-(methoxymethyl)-3-methylbenzimidazol-5-amine
SMILESCOCc1nc2ccc(N)cc2n1C
InChIInChI=1S/C10H13N3O/c1-13-9-5-7(11)3-4-8(9)12-10(13)6-14-2/h3-5H,6,11H2,1-2H3
InChIKeyXRILYTHNERPFMQ-UHFFFAOYSA-N
XLogP1.30
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(methoxymethyl)-1,6-dimethyl-5-(trifluoromethyl)benzimidazole
CID 143625980
3-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 79753807
2-(aminomethyl)-3-propan-2-ylbenzimidazol-5-amine
CID 84777993
2-butyl-1-methylbenzimidazol-5-amine
CID 58382812
(6-fluoro-1-methylbenzimidazol-2-yl)methanamine
CID 62377229
[3-methyl-2-(2,2,2-trifluoroethoxymethyl)benzimidazol-5-yl]methanamine
CID 103213116
6-chloro-2-[(2,4-dichlorophenoxy)methyl]-1-methylbenzimidazole
CID 46310358
3-methyl-2-(2,2,2-trifluoroethoxymethyl)benzimidazole-5-carbonitrile
CID 103213093
2-[(6-fluoro-1-methylbenzimidazol-2-yl)methoxy]acetic acid
CID 62376035
2-(3-methoxypropyl)-3-methylbenzimidazole-5-carbonitrile
CID 113444267
[2-(methoxymethyl)-1-propylbenzimidazol-5-yl]methanamine
CID 65037745
1,2-dimethylindol-5-amine;2-methoxyacetaldehyde
CID 143092013

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-3-methylbenzimidazol-5-amine?
The IUPAC name of 2-(methoxymethyl)-3-methylbenzimidazol-5-amine (CID 91560563) is 2-(methoxymethyl)-3-methylbenzimidazol-5-amine.
What is the SMILES notation for 2-(methoxymethyl)-3-methylbenzimidazol-5-amine?
The canonical SMILES for 2-(methoxymethyl)-3-methylbenzimidazol-5-amine is COCc1nc2ccc(N)cc2n1C.
What is the InChIKey of 2-(methoxymethyl)-3-methylbenzimidazol-5-amine?
The InChIKey is XRILYTHNERPFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-13-9-5-7(11)3-4-8(9)12-10(13)6-14-2/h3-5H,6,11H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-3-methylbenzimidazol-5-amine?
2-(methoxymethyl)-3-methylbenzimidazol-5-amine has a molecular weight of 191.23 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-3-methylbenzimidazol-5-amine is sourced from PubChem (CID 91560563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).