2-methyl-1-[3-(4-methylphenoxy)propyl]benzimidazol-4-amine

C18H21N3O — CID 82067153

IUPAC2-methyl-1-[3-(4-methylphenoxy)propyl]benzimidazol-4-amine
SMILESCc1ccc(OCCCn2c(C)nc3c(N)cccc32)cc1
InChIInChI=1S/C18H21N3O/c1-13-7-9-15(10-8-13)22-12-4-11-21-14(2)20-18-16(19)5-3-6-17(18)21/h3,5-10H,4,11-12,19H2,1-2H3
InChIKeyPKBUYDQQZJYHGQ-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.70
Rot. Bonds5

About 2-methyl-1-[3-(4-methylphenoxy)propyl]benzimidazol-4-amine

2-methyl-1-[3-(4-methylphenoxy)propyl]benzimidazol-4-amine (PubChem CID 82067153) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-methyl-1-[3-(4-methylphenoxy)propyl]benzimidazol-4-amine.

Molecular Properties

Compound Name2-methyl-1-[3-(4-methylphenoxy)propyl]benzimidazol-4-amine
PubChem CID82067153
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-methyl-1-[3-(4-methylphenoxy)propyl]benzimidazol-4-amine
SMILESCc1ccc(OCCCn2c(C)nc3c(N)cccc32)cc1
InChIInChI=1S/C18H21N3O/c1-13-7-9-15(10-8-13)22-12-4-11-21-14(2)20-18-16(19)5-3-6-17(18)21/h3,5-10H,4,11-12,19H2,1-2H3
InChIKeyPKBUYDQQZJYHGQ-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenyl)-1-pentylbenzimidazol-4-amine
CID 82067840
2-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine
CID 82067161
3-butyl-2-methyl-5-(4-propoxyphenyl)imidazol-4-amine
CID 62495773
2-methyl-1-[4-(9-methylfluoren-9-yl)butyl]benzimidazol-4-amine
CID 22891102
1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole
CID 5201852
2-methyl-3-[3-(4-methylphenoxy)propoxy]aniline
CID 82097227
2-benzhydryl-1-[3-(4-methylphenoxy)propyl]benzimidazole
CID 16987277
2-(methoxymethyl)-1-[3-(4-methylphenoxy)propyl]benzimidazole;hydrochloride
CID 44654062
(1S)-1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethanol
CID 7025306
1-[3-(4-methylphenoxy)propyl]-3-(3-phenoxypropyl)benzimidazol-1-ium-2-amine
CID 123132589
1-butyl-2-(4-chlorophenyl)benzimidazol-4-amine
CID 82068115
5-methyl-1-(3-phenoxypropyl)benzimidazol-2-amine
CID 62378956

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(4-methylphenoxy)propyl]benzimidazol-4-amine?
The IUPAC name of 2-methyl-1-[3-(4-methylphenoxy)propyl]benzimidazol-4-amine (CID 82067153) is 2-methyl-1-[3-(4-methylphenoxy)propyl]benzimidazol-4-amine.
What is the SMILES notation for 2-methyl-1-[3-(4-methylphenoxy)propyl]benzimidazol-4-amine?
The canonical SMILES for 2-methyl-1-[3-(4-methylphenoxy)propyl]benzimidazol-4-amine is Cc1ccc(OCCCn2c(C)nc3c(N)cccc32)cc1.
What is the InChIKey of 2-methyl-1-[3-(4-methylphenoxy)propyl]benzimidazol-4-amine?
The InChIKey is PKBUYDQQZJYHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13-7-9-15(10-8-13)22-12-4-11-21-14(2)20-18-16(19)5-3-6-17(18)21/h3,5-10H,4,11-12,19H2,1-2H3.
What are the key properties of 2-methyl-1-[3-(4-methylphenoxy)propyl]benzimidazol-4-amine?
2-methyl-1-[3-(4-methylphenoxy)propyl]benzimidazol-4-amine has a molecular weight of 295.39 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(4-methylphenoxy)propyl]benzimidazol-4-amine is sourced from PubChem (CID 82067153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).