3-(5,6-dichloro-2-pyridin-4-ylbenzimidazol-1-yl)propan-1-amine

C15H14Cl2N4 — CID 94749237

IUPAC3-(5,6-dichloro-2-pyridin-4-ylbenzimidazol-1-yl)propan-1-amine
SMILESNCCCn1c(-c2ccncc2)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C15H14Cl2N4/c16-11-8-13-14(9-12(11)17)21(7-1-4-18)15(20-13)10-2-5-19-6-3-10/h2-3,5-6,8-9H,1,4,7,18H2
InChIKeyRHATVRGNFBRYPX-UHFFFAOYSA-N
MW321.21 g/mol
LogP3.75
Rot. Bonds4

About 3-(5,6-dichloro-2-pyridin-4-ylbenzimidazol-1-yl)propan-1-amine

3-(5,6-dichloro-2-pyridin-4-ylbenzimidazol-1-yl)propan-1-amine (PubChem CID 94749237) has the molecular formula C15H14Cl2N4 and a molecular weight of 321.21 g/mol. Its IUPAC name is 3-(5,6-dichloro-2-pyridin-4-ylbenzimidazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5,6-dichloro-2-pyridin-4-ylbenzimidazol-1-yl)propan-1-amine
PubChem CID94749237
Molecular FormulaC15H14Cl2N4
Molecular Weight321.21 g/mol
Exact Mass320.06
IUPAC Name3-(5,6-dichloro-2-pyridin-4-ylbenzimidazol-1-yl)propan-1-amine
SMILESNCCCn1c(-c2ccncc2)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C15H14Cl2N4/c16-11-8-13-14(9-12(11)17)21(7-1-4-18)15(20-13)10-2-5-19-6-3-10/h2-3,5-6,8-9H,1,4,7,18H2
InChIKeyRHATVRGNFBRYPX-UHFFFAOYSA-N
XLogP3.75
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5,6-dichloro-2-pyridin-4-ylbenzimidazol-1-yl)propanenitrile
CID 94749240
2-(5,6-dichloro-2-pyridin-3-ylbenzimidazol-1-yl)ethanamine
CID 94749231
3-(5,6-difluoro-2-phenylbenzimidazol-1-yl)propan-1-amine
CID 82146184
4-[1-(3-aminopropyl)-5,6-difluorobenzimidazol-2-yl]aniline
CID 82146344
3-(6-methyl-2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propan-1-amine
CID 82061571
4-[2-(4-fluorophenyl)-5,6-dimethylbenzimidazol-1-yl]butan-1-amine
CID 94748001
3-(5,6-dichloro-2-pentan-3-ylbenzimidazol-1-yl)propan-1-amine
CID 94749172
2-[2-(4-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]ethanamine
CID 82145276
5-[1-(3-aminopropyl)-5,6-difluorobenzimidazol-2-yl]-2-methylaniline
CID 94750354
3-(6-pyridin-4-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol
CID 82149606
(1-propyl-2-pyridin-4-ylbenzimidazol-5-yl)methanamine
CID 65038224
5,6-dichloro-1-[4-(5,6-dichloro-2-methylbenzimidazol-1-yl)butyl]-2-methylbenzimidazole
CID 91737844

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dichloro-2-pyridin-4-ylbenzimidazol-1-yl)propan-1-amine?
The IUPAC name of 3-(5,6-dichloro-2-pyridin-4-ylbenzimidazol-1-yl)propan-1-amine (CID 94749237) is 3-(5,6-dichloro-2-pyridin-4-ylbenzimidazol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(5,6-dichloro-2-pyridin-4-ylbenzimidazol-1-yl)propan-1-amine?
The canonical SMILES for 3-(5,6-dichloro-2-pyridin-4-ylbenzimidazol-1-yl)propan-1-amine is NCCCn1c(-c2ccncc2)nc2cc(Cl)c(Cl)cc21.
What is the InChIKey of 3-(5,6-dichloro-2-pyridin-4-ylbenzimidazol-1-yl)propan-1-amine?
The InChIKey is RHATVRGNFBRYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4/c16-11-8-13-14(9-12(11)17)21(7-1-4-18)15(20-13)10-2-5-19-6-3-10/h2-3,5-6,8-9H,1,4,7,18H2.
What are the key properties of 3-(5,6-dichloro-2-pyridin-4-ylbenzimidazol-1-yl)propan-1-amine?
3-(5,6-dichloro-2-pyridin-4-ylbenzimidazol-1-yl)propan-1-amine has a molecular weight of 321.21 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dichloro-2-pyridin-4-ylbenzimidazol-1-yl)propan-1-amine is sourced from PubChem (CID 94749237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).