1-butyl-N-[(2,3-dimethoxyphenyl)methyl]benzimidazol-2-amine

C20H25N3O2 — CID 4265206

IUPAC1-butyl-N-[(2,3-dimethoxyphenyl)methyl]benzimidazol-2-amine
SMILESCCCCn1c(NCc2cccc(OC)c2OC)nc2ccccc21
InChIInChI=1S/C20H25N3O2/c1-4-5-13-23-17-11-7-6-10-16(17)22-20(23)21-14-15-9-8-12-18(24-2)19(15)25-3/h6-12H,4-5,13-14H2,1-3H3,(H,21,22)
InChIKeyGZLQUQSOMHOETJ-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.47
Rot. Bonds8

About 1-butyl-N-[(2,3-dimethoxyphenyl)methyl]benzimidazol-2-amine

1-butyl-N-[(2,3-dimethoxyphenyl)methyl]benzimidazol-2-amine (PubChem CID 4265206) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-butyl-N-[(2,3-dimethoxyphenyl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-butyl-N-[(2,3-dimethoxyphenyl)methyl]benzimidazol-2-amine
PubChem CID4265206
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-butyl-N-[(2,3-dimethoxyphenyl)methyl]benzimidazol-2-amine
SMILESCCCCn1c(NCc2cccc(OC)c2OC)nc2ccccc21
InChIInChI=1S/C20H25N3O2/c1-4-5-13-23-17-11-7-6-10-16(17)22-20(23)21-14-15-9-8-12-18(24-2)19(15)25-3/h6-12H,4-5,13-14H2,1-3H3,(H,21,22)
InChIKeyGZLQUQSOMHOETJ-UHFFFAOYSA-N
XLogP4.47
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 936324
2-[[(1-hexylbenzimidazol-2-yl)amino]methyl]phenol
CID 3442786
N-[(2,4-dimethoxyphenyl)methyl]-1-propylbenzimidazol-2-amine
CID 937254
N-(1H-indol-3-ylmethyl)-1-pentylbenzimidazol-2-amine
CID 4205346
2,4-dibromo-6-[[(1-butylbenzimidazol-2-yl)amino]methyl]phenol
CID 3736134
N-[(4,8-dimethoxynaphthalen-1-yl)methyl]-1-methylbenzimidazol-2-amine
CID 5146346
2-[[(1-nonylbenzimidazol-2-yl)amino]methyl]-6-prop-2-enylphenol
CID 3816639
1-butyl-N-naphthalen-1-ylbenzimidazol-2-amine
CID 4697787
1-[2-(diethylamino)ethyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazol-2-amine
CID 3573876
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777
4-chloro-2-[[(1-hexylbenzimidazol-2-yl)amino]methyl]phenol
CID 4592910
2-[(1-pentylbenzimidazol-2-yl)amino]ethanol
CID 4697809

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[(2,3-dimethoxyphenyl)methyl]benzimidazol-2-amine?
The IUPAC name of 1-butyl-N-[(2,3-dimethoxyphenyl)methyl]benzimidazol-2-amine (CID 4265206) is 1-butyl-N-[(2,3-dimethoxyphenyl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 1-butyl-N-[(2,3-dimethoxyphenyl)methyl]benzimidazol-2-amine?
The canonical SMILES for 1-butyl-N-[(2,3-dimethoxyphenyl)methyl]benzimidazol-2-amine is CCCCn1c(NCc2cccc(OC)c2OC)nc2ccccc21.
What is the InChIKey of 1-butyl-N-[(2,3-dimethoxyphenyl)methyl]benzimidazol-2-amine?
The InChIKey is GZLQUQSOMHOETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-4-5-13-23-17-11-7-6-10-16(17)22-20(23)21-14-15-9-8-12-18(24-2)19(15)25-3/h6-12H,4-5,13-14H2,1-3H3,(H,21,22).
What are the key properties of 1-butyl-N-[(2,3-dimethoxyphenyl)methyl]benzimidazol-2-amine?
1-butyl-N-[(2,3-dimethoxyphenyl)methyl]benzimidazol-2-amine has a molecular weight of 339.44 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[(2,3-dimethoxyphenyl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 4265206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).