2-(5,6-dichloro-2-cyclobutylbenzimidazol-1-yl)propan-1-amine

C14H17Cl2N3 — CID 82146040

IUPAC2-(5,6-dichloro-2-cyclobutylbenzimidazol-1-yl)propan-1-amine
SMILESCC(CN)n1c(C2CCC2)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C14H17Cl2N3/c1-8(7-17)19-13-6-11(16)10(15)5-12(13)18-14(19)9-3-2-4-9/h5-6,8-9H,2-4,7,17H2,1H3
InChIKeyBNEMDKBNUTXZAO-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.13
Rot. Bonds3

About 2-(5,6-dichloro-2-cyclobutylbenzimidazol-1-yl)propan-1-amine

2-(5,6-dichloro-2-cyclobutylbenzimidazol-1-yl)propan-1-amine (PubChem CID 82146040) has the molecular formula C14H17Cl2N3 and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-(5,6-dichloro-2-cyclobutylbenzimidazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name2-(5,6-dichloro-2-cyclobutylbenzimidazol-1-yl)propan-1-amine
PubChem CID82146040
Molecular FormulaC14H17Cl2N3
Molecular Weight298.22 g/mol
Exact Mass297.08
IUPAC Name2-(5,6-dichloro-2-cyclobutylbenzimidazol-1-yl)propan-1-amine
SMILESCC(CN)n1c(C2CCC2)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C14H17Cl2N3/c1-8(7-17)19-13-6-11(16)10(15)5-12(13)18-14(19)9-3-2-4-9/h5-6,8-9H,2-4,7,17H2,1H3
InChIKeyBNEMDKBNUTXZAO-UHFFFAOYSA-N
XLogP4.13
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dichloro-2-cyclobutylbenzimidazol-1-yl)propan-1-amine?
The IUPAC name of 2-(5,6-dichloro-2-cyclobutylbenzimidazol-1-yl)propan-1-amine (CID 82146040) is 2-(5,6-dichloro-2-cyclobutylbenzimidazol-1-yl)propan-1-amine.
What is the SMILES notation for 2-(5,6-dichloro-2-cyclobutylbenzimidazol-1-yl)propan-1-amine?
The canonical SMILES for 2-(5,6-dichloro-2-cyclobutylbenzimidazol-1-yl)propan-1-amine is CC(CN)n1c(C2CCC2)nc2cc(Cl)c(Cl)cc21.
What is the InChIKey of 2-(5,6-dichloro-2-cyclobutylbenzimidazol-1-yl)propan-1-amine?
The InChIKey is BNEMDKBNUTXZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3/c1-8(7-17)19-13-6-11(16)10(15)5-12(13)18-14(19)9-3-2-4-9/h5-6,8-9H,2-4,7,17H2,1H3.
What are the key properties of 2-(5,6-dichloro-2-cyclobutylbenzimidazol-1-yl)propan-1-amine?
2-(5,6-dichloro-2-cyclobutylbenzimidazol-1-yl)propan-1-amine has a molecular weight of 298.22 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dichloro-2-cyclobutylbenzimidazol-1-yl)propan-1-amine is sourced from PubChem (CID 82146040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).