3-(5,6-dichloro-2-pentan-3-ylbenzimidazol-1-yl)propan-1-amine

C15H21Cl2N3 — CID 94749172

IUPAC3-(5,6-dichloro-2-pentan-3-ylbenzimidazol-1-yl)propan-1-amine
SMILESCCC(CC)c1nc2cc(Cl)c(Cl)cc2n1CCCN
InChIInChI=1S/C15H21Cl2N3/c1-3-10(4-2)15-19-13-8-11(16)12(17)9-14(13)20(15)7-5-6-18/h8-10H,3-7,18H2,1-2H3
InChIKeyJBOBVZGQVQVRGU-UHFFFAOYSA-N
MW314.26 g/mol
LogP4.60
Rot. Bonds6

About 3-(5,6-dichloro-2-pentan-3-ylbenzimidazol-1-yl)propan-1-amine

3-(5,6-dichloro-2-pentan-3-ylbenzimidazol-1-yl)propan-1-amine (PubChem CID 94749172) has the molecular formula C15H21Cl2N3 and a molecular weight of 314.26 g/mol. Its IUPAC name is 3-(5,6-dichloro-2-pentan-3-ylbenzimidazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5,6-dichloro-2-pentan-3-ylbenzimidazol-1-yl)propan-1-amine
PubChem CID94749172
Molecular FormulaC15H21Cl2N3
Molecular Weight314.26 g/mol
Exact Mass313.11
IUPAC Name3-(5,6-dichloro-2-pentan-3-ylbenzimidazol-1-yl)propan-1-amine
SMILESCCC(CC)c1nc2cc(Cl)c(Cl)cc2n1CCCN
InChIInChI=1S/C15H21Cl2N3/c1-3-10(4-2)15-19-13-8-11(16)12(17)9-14(13)20(15)7-5-6-18/h8-10H,3-7,18H2,1-2H3
InChIKeyJBOBVZGQVQVRGU-UHFFFAOYSA-N
XLogP4.60
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)butan-1-amine
CID 82145615
2-[2-(5,6-difluoro-2-pentan-3-ylbenzimidazol-1-yl)ethoxy]ethanamine
CID 94749356
4-[5,6-dichloro-2-(2-methylpropyl)benzimidazol-1-yl]butan-1-amine
CID 94749196
3-(5,6-dichloro-2-pyridin-4-ylbenzimidazol-1-yl)propan-1-amine
CID 94749237
3-(5,6-difluoro-2-pentan-3-ylbenzimidazol-1-yl)propanoic acid
CID 62803527
4-(6-methyl-2-pentan-3-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine
CID 82061624
5,6-dichloro-1-[4-(5,6-dichloro-2-methylbenzimidazol-1-yl)butyl]-2-methylbenzimidazole
CID 91737844
1-[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]-N,N-dimethylpropan-1-amine
CID 82310809
3-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol
CID 82149592
2-[2-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethoxy]ethanamine
CID 94748598
2-(6-fluoro-1-propylbenzimidazol-2-yl)butan-1-amine
CID 65220782
5-chloro-2-(1-chloroethyl)-6-fluoro-1-(4-methylpentyl)benzimidazole
CID 66109650

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dichloro-2-pentan-3-ylbenzimidazol-1-yl)propan-1-amine?
The IUPAC name of 3-(5,6-dichloro-2-pentan-3-ylbenzimidazol-1-yl)propan-1-amine (CID 94749172) is 3-(5,6-dichloro-2-pentan-3-ylbenzimidazol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(5,6-dichloro-2-pentan-3-ylbenzimidazol-1-yl)propan-1-amine?
The canonical SMILES for 3-(5,6-dichloro-2-pentan-3-ylbenzimidazol-1-yl)propan-1-amine is CCC(CC)c1nc2cc(Cl)c(Cl)cc2n1CCCN.
What is the InChIKey of 3-(5,6-dichloro-2-pentan-3-ylbenzimidazol-1-yl)propan-1-amine?
The InChIKey is JBOBVZGQVQVRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3/c1-3-10(4-2)15-19-13-8-11(16)12(17)9-14(13)20(15)7-5-6-18/h8-10H,3-7,18H2,1-2H3.
What are the key properties of 3-(5,6-dichloro-2-pentan-3-ylbenzimidazol-1-yl)propan-1-amine?
3-(5,6-dichloro-2-pentan-3-ylbenzimidazol-1-yl)propan-1-amine has a molecular weight of 314.26 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dichloro-2-pentan-3-ylbenzimidazol-1-yl)propan-1-amine is sourced from PubChem (CID 94749172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).