4-[2-(2-methoxyphenyl)benzimidazol-1-yl]butan-1-amine

C18H21N3O — CID 82144688

IUPAC4-[2-(2-methoxyphenyl)benzimidazol-1-yl]butan-1-amine
SMILESCOc1ccccc1-c1nc2ccccc2n1CCCCN
InChIInChI=1S/C18H21N3O/c1-22-17-11-5-2-8-14(17)18-20-15-9-3-4-10-16(15)21(18)13-7-6-12-19/h2-5,8-11H,6-7,12-13,19H2,1H3
InChIKeyMJDBIFIRSDXMDB-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.45
Rot. Bonds6

About 4-[2-(2-methoxyphenyl)benzimidazol-1-yl]butan-1-amine

4-[2-(2-methoxyphenyl)benzimidazol-1-yl]butan-1-amine (PubChem CID 82144688) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-[2-(2-methoxyphenyl)benzimidazol-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[2-(2-methoxyphenyl)benzimidazol-1-yl]butan-1-amine
PubChem CID82144688
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name4-[2-(2-methoxyphenyl)benzimidazol-1-yl]butan-1-amine
SMILESCOc1ccccc1-c1nc2ccccc2n1CCCCN
InChIInChI=1S/C18H21N3O/c1-22-17-11-5-2-8-14(17)18-20-15-9-3-4-10-16(15)21(18)13-7-6-12-19/h2-5,8-11H,6-7,12-13,19H2,1H3
InChIKeyMJDBIFIRSDXMDB-UHFFFAOYSA-N
XLogP3.45
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-tert-butylbenzimidazol-1-yl)butan-1-amine
CID 82144558
1-[4-(4-methoxyphenoxy)butyl]-2-(2-methylphenyl)benzimidazole
CID 17000704
1-[3-(2-methoxyphenoxy)propyl]-2-phenylbenzimidazole
CID 17000531
1-[4-(2-methoxyphenoxy)butyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001362
2-(2-chlorophenyl)-1-[4-(4-methoxyphenoxy)butyl]benzimidazole
CID 17002175
1-dodecyl-2-(2-methylphenyl)benzimidazole
CID 17000610
4-[2-(2,6-dimethoxyphenyl)benzimidazol-1-yl]butanenitrile
CID 94757352
2-(2-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole
CID 18878785
2-(2-chlorophenyl)-1-heptylbenzimidazole
CID 18878773
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777
2-[2-(2-methoxyphenyl)-1-propylbenzimidazol-5-yl]acetic acid
CID 82142105
2-(3-bromophenyl)-1-[4-(2-methoxyphenoxy)butyl]benzimidazole
CID 17001900

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyphenyl)benzimidazol-1-yl]butan-1-amine?
The IUPAC name of 4-[2-(2-methoxyphenyl)benzimidazol-1-yl]butan-1-amine (CID 82144688) is 4-[2-(2-methoxyphenyl)benzimidazol-1-yl]butan-1-amine.
What is the SMILES notation for 4-[2-(2-methoxyphenyl)benzimidazol-1-yl]butan-1-amine?
The canonical SMILES for 4-[2-(2-methoxyphenyl)benzimidazol-1-yl]butan-1-amine is COc1ccccc1-c1nc2ccccc2n1CCCCN.
What is the InChIKey of 4-[2-(2-methoxyphenyl)benzimidazol-1-yl]butan-1-amine?
The InChIKey is MJDBIFIRSDXMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-22-17-11-5-2-8-14(17)18-20-15-9-3-4-10-16(15)21(18)13-7-6-12-19/h2-5,8-11H,6-7,12-13,19H2,1H3.
What are the key properties of 4-[2-(2-methoxyphenyl)benzimidazol-1-yl]butan-1-amine?
4-[2-(2-methoxyphenyl)benzimidazol-1-yl]butan-1-amine has a molecular weight of 295.39 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyphenyl)benzimidazol-1-yl]butan-1-amine is sourced from PubChem (CID 82144688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).