6-chloro-1-(3-phenoxypropyl)benzimidazol-2-amine

C16H16ClN3O — CID 115470592

IUPAC6-chloro-1-(3-phenoxypropyl)benzimidazol-2-amine
SMILESNc1nc2ccc(Cl)cc2n1CCCOc1ccccc1
InChIInChI=1S/C16H16ClN3O/c17-12-7-8-14-15(11-12)20(16(18)19-14)9-4-10-21-13-5-2-1-3-6-13/h1-3,5-8,11H,4,9-10H2,(H2,18,19)
InChIKeyQCLAFLRDORIULS-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.74
Rot. Bonds5

About 6-chloro-1-(3-phenoxypropyl)benzimidazol-2-amine

6-chloro-1-(3-phenoxypropyl)benzimidazol-2-amine (PubChem CID 115470592) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 6-chloro-1-(3-phenoxypropyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-chloro-1-(3-phenoxypropyl)benzimidazol-2-amine
PubChem CID115470592
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name6-chloro-1-(3-phenoxypropyl)benzimidazol-2-amine
SMILESNc1nc2ccc(Cl)cc2n1CCCOc1ccccc1
InChIInChI=1S/C16H16ClN3O/c17-12-7-8-14-15(11-12)20(16(18)19-14)9-4-10-21-13-5-2-1-3-6-13/h1-3,5-8,11H,4,9-10H2,(H2,18,19)
InChIKeyQCLAFLRDORIULS-UHFFFAOYSA-N
XLogP3.74
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.74
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-fluoro-1-(2-phenoxyethyl)benzimidazol-2-amine
CID 62376847
5-methyl-1-(3-phenoxypropyl)benzimidazol-2-amine
CID 62378956
3-[3-(2-aminobenzimidazol-1-yl)propoxy]benzoic acid
CID 70881430
1-[3-(4-bromophenoxy)propyl]benzimidazol-2-amine
CID 2990608
6-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine
CID 115470703
6-chloro-1-(2-methoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 46309145
6-bromo-3-(3-phenoxypropyl)imidazo[4,5-b]pyridin-2-amine
CID 79279143
6-chloro-1-[2-[methyl(propan-2-yl)amino]ethyl]benzimidazol-2-amine
CID 115470600
2-(2-amino-6-chlorobenzimidazol-1-yl)acetic acid
CID 84735746
6-chloro-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
CID 106406239
1-[(4-chlorophenoxy)methyl]benzimidazol-2-amine
CID 71137977
2-(4-chlorophenyl)-1-(4-phenoxybutyl)benzimidazole
CID 18879129

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(3-phenoxypropyl)benzimidazol-2-amine?
The IUPAC name of 6-chloro-1-(3-phenoxypropyl)benzimidazol-2-amine (CID 115470592) is 6-chloro-1-(3-phenoxypropyl)benzimidazol-2-amine.
What is the SMILES notation for 6-chloro-1-(3-phenoxypropyl)benzimidazol-2-amine?
The canonical SMILES for 6-chloro-1-(3-phenoxypropyl)benzimidazol-2-amine is Nc1nc2ccc(Cl)cc2n1CCCOc1ccccc1.
What is the InChIKey of 6-chloro-1-(3-phenoxypropyl)benzimidazol-2-amine?
The InChIKey is QCLAFLRDORIULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c17-12-7-8-14-15(11-12)20(16(18)19-14)9-4-10-21-13-5-2-1-3-6-13/h1-3,5-8,11H,4,9-10H2,(H2,18,19).
What are the key properties of 6-chloro-1-(3-phenoxypropyl)benzimidazol-2-amine?
6-chloro-1-(3-phenoxypropyl)benzimidazol-2-amine has a molecular weight of 301.78 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(3-phenoxypropyl)benzimidazol-2-amine is sourced from PubChem (CID 115470592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).