2-butyl-1-(methoxymethyl)benzimidazol-4-amine

C13H19N3O — CID 82067390

IUPAC2-butyl-1-(methoxymethyl)benzimidazol-4-amine
SMILESCCCCc1nc2c(N)cccc2n1COC
InChIInChI=1S/C13H19N3O/c1-3-4-8-12-15-13-10(14)6-5-7-11(13)16(12)9-17-2/h5-7H,3-4,8-9,14H2,1-2H3
InChIKeyRGKSUDJLENYWPC-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.57
Rot. Bonds5

About 2-butyl-1-(methoxymethyl)benzimidazol-4-amine

2-butyl-1-(methoxymethyl)benzimidazol-4-amine (PubChem CID 82067390) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-butyl-1-(methoxymethyl)benzimidazol-4-amine.

Molecular Properties

Compound Name2-butyl-1-(methoxymethyl)benzimidazol-4-amine
PubChem CID82067390
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-butyl-1-(methoxymethyl)benzimidazol-4-amine
SMILESCCCCc1nc2c(N)cccc2n1COC
InChIInChI=1S/C13H19N3O/c1-3-4-8-12-15-13-10(14)6-5-7-11(13)16(12)9-17-2/h5-7H,3-4,8-9,14H2,1-2H3
InChIKeyRGKSUDJLENYWPC-UHFFFAOYSA-N
XLogP2.57
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.57
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-(2-cyclohexylethyl)-1-(methoxymethyl)benzimidazol-4-amine
CID 82068290
2-butyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine
CID 82067397
3-(4-amino-2-butylbenzimidazol-1-yl)propanoic acid
CID 82067392
2-[(4-chlorophenyl)methyl]-1-(methoxymethyl)benzimidazol-4-amine
CID 82068037
1-benzyl-2-propylbenzimidazol-4-amine
CID 82067310
2-(4-amino-2-propylbenzimidazol-1-yl)acetic acid
CID 67202043
1-butyl-2-(2-methylpropyl)benzimidazol-4-amine
CID 82067688
3-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]propan-1-ol
CID 82068272
2-(2-methylpropyl)-1-pentylbenzimidazol-4-amine
CID 82067689
2-[(2,3-dimethylphenoxy)methyl]-1-ethylbenzimidazol-4-amine
CID 82068193
3-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]propanoic acid
CID 82068264
2-(4-methylphenyl)-1-pentylbenzimidazol-4-amine
CID 82067840

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-(methoxymethyl)benzimidazol-4-amine?
The IUPAC name of 2-butyl-1-(methoxymethyl)benzimidazol-4-amine (CID 82067390) is 2-butyl-1-(methoxymethyl)benzimidazol-4-amine.
What is the SMILES notation for 2-butyl-1-(methoxymethyl)benzimidazol-4-amine?
The canonical SMILES for 2-butyl-1-(methoxymethyl)benzimidazol-4-amine is CCCCc1nc2c(N)cccc2n1COC.
What is the InChIKey of 2-butyl-1-(methoxymethyl)benzimidazol-4-amine?
The InChIKey is RGKSUDJLENYWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-4-8-12-15-13-10(14)6-5-7-11(13)16(12)9-17-2/h5-7H,3-4,8-9,14H2,1-2H3.
What are the key properties of 2-butyl-1-(methoxymethyl)benzimidazol-4-amine?
2-butyl-1-(methoxymethyl)benzimidazol-4-amine has a molecular weight of 233.31 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-(methoxymethyl)benzimidazol-4-amine is sourced from PubChem (CID 82067390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).