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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Related Compounds

2-(2-cyclobutyl-5,6-difluorobenzimidazol-1-yl)propan-1-amine
CID 82146329
2-(6-cyclopropyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine
CID 82145633
2-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)propan-1-amine
CID 82143881
2-(2-butyl-5,6-dichlorobenzimidazol-1-yl)propan-1-amine
CID 82145993
1-butan-2-yl-6-chloro-2-cyclohexylbenzimidazole
CID 46309952
(2-cyclobutyl-1-propan-2-ylbenzimidazol-5-yl)methanamine
CID 65037850
2-cyclohexyl-1-propan-2-ylbenzimidazol-5-amine
CID 82380445
2-cyclobutyl-1-propan-2-ylbenzimidazol-5-ol
CID 84693728
[4-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 79525751
2-cyclopentyl-1-(2-methylpropyl)benzimidazol-5-amine
CID 82380447
3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine
CID 63044382
1-[1-(1-butan-2-yl-5,6-dichlorobenzimidazol-2-yl)cyclopentyl]piperidine-4-carboxamide
CID 123522975

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).