4-methoxy-N-methyl-1H-benzimidazol-2-amine

C9H11N3O — CID 84618412

IUPAC4-methoxy-N-methyl-1H-benzimidazol-2-amine
SMILESCNc1nc2c(OC)cccc2[nH]1
InChIInChI=1S/C9H11N3O/c1-10-9-11-6-4-3-5-7(13-2)8(6)12-9/h3-5H,1-2H3,(H2,10,11,12)
InChIKeyVSMKJSVLQHOKPS-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.61
Rot. Bonds2

About 4-methoxy-N-methyl-1H-benzimidazol-2-amine

4-methoxy-N-methyl-1H-benzimidazol-2-amine (PubChem CID 84618412) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 4-methoxy-N-methyl-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name4-methoxy-N-methyl-1H-benzimidazol-2-amine
PubChem CID84618412
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name4-methoxy-N-methyl-1H-benzimidazol-2-amine
SMILESCNc1nc2c(OC)cccc2[nH]1
InChIInChI=1S/C9H11N3O/c1-10-9-11-6-4-3-5-7(13-2)8(6)12-9/h3-5H,1-2H3,(H2,10,11,12)
InChIKeyVSMKJSVLQHOKPS-UHFFFAOYSA-N
XLogP1.61
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methoxy-1H-benzimidazol-2-yl)amino]phenol
CID 143998312
4-methoxy-1H-benzimidazole-2-carbonitrile
CID 119084277
N-(4-methoxy-1H-benzimidazol-2-yl)imidazole-1-carbothioamide
CID 170607455
1-(4-methoxy-1H-benzimidazol-2-yl)ethanethiol
CID 166986048
1-(4-methoxy-1H-benzimidazol-2-yl)ethanone
CID 18316612
N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-4-methoxy-1H-benzimidazol-2-amine
CID 170579838
N-methyl-4-nitro-1H-benzimidazol-2-amine
CID 45077987
[2-(methoxycarbonylamino)-1H-benzimidazol-4-yl] 3,4,5-trimethoxybenzoate
CID 10201033
N',4-dimethylpiperazine-1-carbohydrazide;ethane;N-(4-methoxy-1H-benzimidazol-2-yl)methanethioamide
CID 170607425
1-[(3,4-dimethoxybenzoyl)amino]-3-(4-methoxy-1H-benzimidazol-2-yl)thiourea
CID 170607439
5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-amine
CID 170607437
8-methoxy-N-methylquinolin-2-amine
CID 57292538

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-1H-benzimidazol-2-amine?
The IUPAC name of 4-methoxy-N-methyl-1H-benzimidazol-2-amine (CID 84618412) is 4-methoxy-N-methyl-1H-benzimidazol-2-amine.
What is the SMILES notation for 4-methoxy-N-methyl-1H-benzimidazol-2-amine?
The canonical SMILES for 4-methoxy-N-methyl-1H-benzimidazol-2-amine is CNc1nc2c(OC)cccc2[nH]1.
What is the InChIKey of 4-methoxy-N-methyl-1H-benzimidazol-2-amine?
The InChIKey is VSMKJSVLQHOKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-10-9-11-6-4-3-5-7(13-2)8(6)12-9/h3-5H,1-2H3,(H2,10,11,12).
What are the key properties of 4-methoxy-N-methyl-1H-benzimidazol-2-amine?
4-methoxy-N-methyl-1H-benzimidazol-2-amine has a molecular weight of 177.21 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-1H-benzimidazol-2-amine is sourced from PubChem (CID 84618412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).