3-(1-butyl-5-methoxybenzimidazol-2-yl)aniline

C18H21N3O — CID 82334366

IUPAC3-(1-butyl-5-methoxybenzimidazol-2-yl)aniline
SMILESCCCCn1c(-c2cccc(N)c2)nc2cc(OC)ccc21
InChIInChI=1S/C18H21N3O/c1-3-4-10-21-17-9-8-15(22-2)12-16(17)20-18(21)13-6-5-7-14(19)11-13/h5-9,11-12H,3-4,10,19H2,1-2H3
InChIKeyIEGTUISHLQZRPB-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.09
Rot. Bonds5

About 3-(1-butyl-5-methoxybenzimidazol-2-yl)aniline

3-(1-butyl-5-methoxybenzimidazol-2-yl)aniline (PubChem CID 82334366) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-(1-butyl-5-methoxybenzimidazol-2-yl)aniline.

Molecular Properties

Compound Name3-(1-butyl-5-methoxybenzimidazol-2-yl)aniline
PubChem CID82334366
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name3-(1-butyl-5-methoxybenzimidazol-2-yl)aniline
SMILESCCCCn1c(-c2cccc(N)c2)nc2cc(OC)ccc21
InChIInChI=1S/C18H21N3O/c1-3-4-10-21-17-9-8-15(22-2)12-16(17)20-18(21)13-6-5-7-14(19)11-13/h5-9,11-12H,3-4,10,19H2,1-2H3
InChIKeyIEGTUISHLQZRPB-UHFFFAOYSA-N
XLogP4.09
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.09
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

3-(1-butyl-5-methylbenzimidazol-2-yl)aniline
CID 82333006
1-butyl-5-methoxy-2-[3-(trifluoromethyl)phenyl]benzimidazole
CID 134083798
1-butyl-2-(3-methoxyphenyl)benzimidazole
CID 17001670
3-(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)aniline
CID 82334365
1-hexyl-5-methoxy-2-(4-phenylphenyl)benzimidazole
CID 134083855
2-(3-methoxyphenyl)-1-pentylbenzimidazole
CID 17001673
(1-butyl-5-methoxybenzimidazol-2-yl)methanamine
CID 82334322
2-(1-butylbenzimidazol-2-yl)-5-methoxyphenol
CID 136726170
2-(3-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 17001765
[4-(1-butyl-5-methylbenzimidazol-2-yl)phenyl]methanamine
CID 82333100
N-[(1-butyl-5-methoxybenzimidazol-2-yl)methyl]-N-methylbutan-1-amine
CID 134084130
5-(1-butyl-5-fluorobenzimidazol-2-yl)-2-methylaniline
CID 82332135

Frequently Asked Questions

What is the IUPAC name of 3-(1-butyl-5-methoxybenzimidazol-2-yl)aniline?
The IUPAC name of 3-(1-butyl-5-methoxybenzimidazol-2-yl)aniline (CID 82334366) is 3-(1-butyl-5-methoxybenzimidazol-2-yl)aniline.
What is the SMILES notation for 3-(1-butyl-5-methoxybenzimidazol-2-yl)aniline?
The canonical SMILES for 3-(1-butyl-5-methoxybenzimidazol-2-yl)aniline is CCCCn1c(-c2cccc(N)c2)nc2cc(OC)ccc21.
What is the InChIKey of 3-(1-butyl-5-methoxybenzimidazol-2-yl)aniline?
The InChIKey is IEGTUISHLQZRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-3-4-10-21-17-9-8-15(22-2)12-16(17)20-18(21)13-6-5-7-14(19)11-13/h5-9,11-12H,3-4,10,19H2,1-2H3.
What are the key properties of 3-(1-butyl-5-methoxybenzimidazol-2-yl)aniline?
3-(1-butyl-5-methoxybenzimidazol-2-yl)aniline has a molecular weight of 295.39 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butyl-5-methoxybenzimidazol-2-yl)aniline is sourced from PubChem (CID 82334366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).