5-methyl-1-(3-phenoxypropyl)benzimidazol-2-amine

C17H19N3O — CID 62378956

IUPAC5-methyl-1-(3-phenoxypropyl)benzimidazol-2-amine
SMILESCc1ccc2c(c1)nc(N)n2CCCOc1ccccc1
InChIInChI=1S/C17H19N3O/c1-13-8-9-16-15(12-13)19-17(18)20(16)10-5-11-21-14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11H2,1H3,(H2,18,19)
InChIKeyKKRFMMFBMXHSTI-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.40
Rot. Bonds5

About 5-methyl-1-(3-phenoxypropyl)benzimidazol-2-amine

5-methyl-1-(3-phenoxypropyl)benzimidazol-2-amine (PubChem CID 62378956) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-methyl-1-(3-phenoxypropyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-methyl-1-(3-phenoxypropyl)benzimidazol-2-amine
PubChem CID62378956
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name5-methyl-1-(3-phenoxypropyl)benzimidazol-2-amine
SMILESCc1ccc2c(c1)nc(N)n2CCCOc1ccccc1
InChIInChI=1S/C17H19N3O/c1-13-8-9-16-15(12-13)19-17(18)20(16)10-5-11-21-14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11H2,1H3,(H2,18,19)
InChIKeyKKRFMMFBMXHSTI-UHFFFAOYSA-N
XLogP3.40
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.40
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

6-chloro-1-(3-phenoxypropyl)benzimidazol-2-amine
CID 115470592
1-(2-aminoethyl)-5-methylbenzimidazol-2-amine
CID 84771588
6-methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-2-amine
CID 79301336
5-(2-amino-5-methylbenzimidazol-1-yl)pentanamide
CID 106239939
5-methyl-1-(3-phenylbutyl)benzimidazol-2-amine
CID 62987867
5-methyl-1-[3-[methyl(propan-2-yl)amino]propyl]benzimidazol-2-amine
CID 106035839
1-[3-(4-bromophenoxy)propyl]benzimidazol-2-amine
CID 2990608
3-[3-(2-aminobenzimidazol-1-yl)propoxy]benzoic acid
CID 70881430
5-methyl-1-(2-pyrazol-1-ylethyl)benzimidazol-2-amine
CID 54951144
1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole
CID 5201852
6-bromo-3-(3-phenoxypropyl)imidazo[4,5-b]pyridin-2-amine
CID 79279143
5-methyl-1-[(2-methylphenyl)methyl]benzimidazol-2-amine
CID 54944327

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3-phenoxypropyl)benzimidazol-2-amine?
The IUPAC name of 5-methyl-1-(3-phenoxypropyl)benzimidazol-2-amine (CID 62378956) is 5-methyl-1-(3-phenoxypropyl)benzimidazol-2-amine.
What is the SMILES notation for 5-methyl-1-(3-phenoxypropyl)benzimidazol-2-amine?
The canonical SMILES for 5-methyl-1-(3-phenoxypropyl)benzimidazol-2-amine is Cc1ccc2c(c1)nc(N)n2CCCOc1ccccc1.
What is the InChIKey of 5-methyl-1-(3-phenoxypropyl)benzimidazol-2-amine?
The InChIKey is KKRFMMFBMXHSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13-8-9-16-15(12-13)19-17(18)20(16)10-5-11-21-14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11H2,1H3,(H2,18,19).
What are the key properties of 5-methyl-1-(3-phenoxypropyl)benzimidazol-2-amine?
5-methyl-1-(3-phenoxypropyl)benzimidazol-2-amine has a molecular weight of 281.36 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3-phenoxypropyl)benzimidazol-2-amine is sourced from PubChem (CID 62378956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).