3-[6-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]propan-1-amine

C14H20ClN3O — CID 46308643

IUPAC3-[6-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]propan-1-amine
SMILESCOCCCn1c(CCCN)nc2ccc(Cl)cc21
InChIInChI=1S/C14H20ClN3O/c1-19-9-3-8-18-13-10-11(15)5-6-12(13)17-14(18)4-2-7-16/h5-6,10H,2-4,7-9,16H2,1H3
InChIKeyWHPGVQFEDNDVSS-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.62
Rot. Bonds7

About 3-[6-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]propan-1-amine

3-[6-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]propan-1-amine (PubChem CID 46308643) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 3-[6-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[6-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]propan-1-amine
PubChem CID46308643
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name3-[6-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]propan-1-amine
SMILESCOCCCn1c(CCCN)nc2ccc(Cl)cc21
InChIInChI=1S/C14H20ClN3O/c1-19-9-3-8-18-13-10-11(15)5-6-12(13)17-14(18)4-2-7-16/h5-6,10H,2-4,7-9,16H2,1H3
InChIKeyWHPGVQFEDNDVSS-UHFFFAOYSA-N
XLogP2.62
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.62
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

2-[6-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]ethanamine
CID 46308639
3-[5-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]propan-1-ol
CID 46308571
3-[2-(2-aminoethyl)-6-chlorobenzimidazol-1-yl]propan-1-ol
CID 46308504
2-[6-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanamine
CID 46309314
3-(5-chloro-1-hexylbenzimidazol-2-yl)propan-1-amine
CID 82332507
2-[5-chloro-1-(3-ethoxypropyl)benzimidazol-2-yl]ethanamine
CID 46308773
6-chloro-2-(2-chloroethyl)-1-(4-methylpentyl)benzimidazole
CID 113316360
6-chloro-1-(2-methoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 46309145
2-[6-chloro-1-(2-methylpropyl)benzimidazol-2-yl]ethanamine
CID 46310938
6-chloro-1-(2-methoxyethyl)-2-propan-2-ylbenzimidazole
CID 46309104
6-chloro-2-ethyl-1-propylbenzimidazole
CID 46310724
6-chloro-2-(2-chloroethyl)-1-(3-methylbutyl)benzimidazole
CID 113316238

Frequently Asked Questions

What is the IUPAC name of 3-[6-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]propan-1-amine?
The IUPAC name of 3-[6-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]propan-1-amine (CID 46308643) is 3-[6-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[6-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[6-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]propan-1-amine is COCCCn1c(CCCN)nc2ccc(Cl)cc21.
What is the InChIKey of 3-[6-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]propan-1-amine?
The InChIKey is WHPGVQFEDNDVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-19-9-3-8-18-13-10-11(15)5-6-12(13)17-14(18)4-2-7-16/h5-6,10H,2-4,7-9,16H2,1H3.
What are the key properties of 3-[6-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]propan-1-amine?
3-[6-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]propan-1-amine has a molecular weight of 281.79 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]propan-1-amine is sourced from PubChem (CID 46308643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).