3-(5-chloro-1-hexylbenzimidazol-2-yl)propan-1-amine

C16H24ClN3 — CID 82332507

IUPAC3-(5-chloro-1-hexylbenzimidazol-2-yl)propan-1-amine
SMILESCCCCCCn1c(CCCN)nc2cc(Cl)ccc21
InChIInChI=1S/C16H24ClN3/c1-2-3-4-5-11-20-15-9-8-13(17)12-14(15)19-16(20)7-6-10-18/h8-9,12H,2-7,10-11,18H2,1H3
InChIKeyAGDPHEKSHLVUFP-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.16
Rot. Bonds8

About 3-(5-chloro-1-hexylbenzimidazol-2-yl)propan-1-amine

3-(5-chloro-1-hexylbenzimidazol-2-yl)propan-1-amine (PubChem CID 82332507) has the molecular formula C16H24ClN3 and a molecular weight of 293.84 g/mol. Its IUPAC name is 3-(5-chloro-1-hexylbenzimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-1-hexylbenzimidazol-2-yl)propan-1-amine
PubChem CID82332507
Molecular FormulaC16H24ClN3
Molecular Weight293.84 g/mol
Exact Mass293.17
IUPAC Name3-(5-chloro-1-hexylbenzimidazol-2-yl)propan-1-amine
SMILESCCCCCCn1c(CCCN)nc2cc(Cl)ccc21
InChIInChI=1S/C16H24ClN3/c1-2-3-4-5-11-20-15-9-8-13(17)12-14(15)19-16(20)7-6-10-18/h8-9,12H,2-7,10-11,18H2,1H3
InChIKeyAGDPHEKSHLVUFP-UHFFFAOYSA-N
XLogP4.16
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(chloromethyl)-1-octylbenzimidazole
CID 115569202
3-(1-butyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 82333924
2-[5-chloro-1-(3-ethoxypropyl)benzimidazol-2-yl]ethanamine
CID 46308773
3-[2-(2-aminoethyl)-5-chlorobenzimidazol-1-yl]propan-1-ol
CID 46308503
2-(5-ethoxy-1-hexylbenzimidazol-2-yl)ethanamine
CID 82334679
5-chloro-2-ethyl-1-propylbenzimidazole
CID 46310723
10-(1-butylbenzimidazol-2-yl)decan-1-amine
CID 92629122
3-[5-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]propan-1-ol
CID 46308166
(5-ethyl-1-heptylbenzimidazol-2-yl)methanamine
CID 82333503
2-heptyl-1-nonylbenzimidazole
CID 139787766
2-nonyl-1-undecylbenzimidazole
CID 139787757
3-(5-ethoxy-1-propylbenzimidazol-2-yl)propan-1-amine
CID 82334661

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1-hexylbenzimidazol-2-yl)propan-1-amine?
The IUPAC name of 3-(5-chloro-1-hexylbenzimidazol-2-yl)propan-1-amine (CID 82332507) is 3-(5-chloro-1-hexylbenzimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(5-chloro-1-hexylbenzimidazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(5-chloro-1-hexylbenzimidazol-2-yl)propan-1-amine is CCCCCCn1c(CCCN)nc2cc(Cl)ccc21.
What is the InChIKey of 3-(5-chloro-1-hexylbenzimidazol-2-yl)propan-1-amine?
The InChIKey is AGDPHEKSHLVUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3/c1-2-3-4-5-11-20-15-9-8-13(17)12-14(15)19-16(20)7-6-10-18/h8-9,12H,2-7,10-11,18H2,1H3.
What are the key properties of 3-(5-chloro-1-hexylbenzimidazol-2-yl)propan-1-amine?
3-(5-chloro-1-hexylbenzimidazol-2-yl)propan-1-amine has a molecular weight of 293.84 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1-hexylbenzimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 82332507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).