4-methoxy-2-(1-propylbenzimidazol-2-yl)aniline

C17H19N3O — CID 115411295

IUPAC4-methoxy-2-(1-propylbenzimidazol-2-yl)aniline
SMILESCCCn1c(-c2cc(OC)ccc2N)nc2ccccc21
InChIInChI=1S/C17H19N3O/c1-3-10-20-16-7-5-4-6-15(16)19-17(20)13-11-12(21-2)8-9-14(13)18/h4-9,11H,3,10,18H2,1-2H3
InChIKeyKSXYGBIEYNGJOP-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.70
Rot. Bonds4

About 4-methoxy-2-(1-propylbenzimidazol-2-yl)aniline

4-methoxy-2-(1-propylbenzimidazol-2-yl)aniline (PubChem CID 115411295) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-methoxy-2-(1-propylbenzimidazol-2-yl)aniline.

Molecular Properties

Compound Name4-methoxy-2-(1-propylbenzimidazol-2-yl)aniline
PubChem CID115411295
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name4-methoxy-2-(1-propylbenzimidazol-2-yl)aniline
SMILESCCCn1c(-c2cc(OC)ccc2N)nc2ccccc21
InChIInChI=1S/C17H19N3O/c1-3-10-20-16-7-5-4-6-15(16)19-17(20)13-11-12(21-2)8-9-14(13)18/h4-9,11H,3,10,18H2,1-2H3
InChIKeyKSXYGBIEYNGJOP-UHFFFAOYSA-N
XLogP3.70
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.70
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-(1-butylbenzimidazol-2-yl)-5-methoxyphenol
CID 136726170
2-(1-ethyl-5-methylbenzimidazol-2-yl)-4-methoxyaniline
CID 115411306
2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-4-methoxyaniline
CID 115411352
2-fluoro-4-(1-propylbenzimidazol-2-yl)aniline
CID 63187871
N-[(2,4-dimethoxyphenyl)methyl]-1-propylbenzimidazol-2-amine
CID 937254
1-butyl-2-(3-methoxyphenyl)benzimidazole
CID 17001670
2-(2-chlorophenyl)-1-propylbenzimidazole
CID 4637054
2-(3-methoxyphenyl)-1-pentylbenzimidazole
CID 17001673
2-(2,4-dichlorophenyl)-1-propylbenzimidazole
CID 16987669
2-[2-(2,5-dimethoxyphenyl)benzimidazol-1-yl]acetic acid
CID 86717111
2-(2,4-dimethylphenyl)-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
CID 16987578
1-(2-ethoxyethyl)-2-(4-methoxyphenyl)benzimidazole
CID 3507993

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(1-propylbenzimidazol-2-yl)aniline?
The IUPAC name of 4-methoxy-2-(1-propylbenzimidazol-2-yl)aniline (CID 115411295) is 4-methoxy-2-(1-propylbenzimidazol-2-yl)aniline.
What is the SMILES notation for 4-methoxy-2-(1-propylbenzimidazol-2-yl)aniline?
The canonical SMILES for 4-methoxy-2-(1-propylbenzimidazol-2-yl)aniline is CCCn1c(-c2cc(OC)ccc2N)nc2ccccc21.
What is the InChIKey of 4-methoxy-2-(1-propylbenzimidazol-2-yl)aniline?
The InChIKey is KSXYGBIEYNGJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-3-10-20-16-7-5-4-6-15(16)19-17(20)13-11-12(21-2)8-9-14(13)18/h4-9,11H,3,10,18H2,1-2H3.
What are the key properties of 4-methoxy-2-(1-propylbenzimidazol-2-yl)aniline?
4-methoxy-2-(1-propylbenzimidazol-2-yl)aniline has a molecular weight of 281.36 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(1-propylbenzimidazol-2-yl)aniline is sourced from PubChem (CID 115411295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).