2-(2-butyl-5,6-dichlorobenzimidazol-1-yl)propan-1-amine

C14H19Cl2N3 — CID 82145993

IUPAC2-(2-butyl-5,6-dichlorobenzimidazol-1-yl)propan-1-amine
SMILESCCCCc1nc2cc(Cl)c(Cl)cc2n1C(C)CN
InChIInChI=1S/C14H19Cl2N3/c1-3-4-5-14-18-12-6-10(15)11(16)7-13(12)19(14)9(2)8-17/h6-7,9H,3-5,8,17H2,1-2H3
InChIKeyZKXDTGHNWCHXEI-UHFFFAOYSA-N
MW300.23 g/mol
LogP4.21
Rot. Bonds5

About 2-(2-butyl-5,6-dichlorobenzimidazol-1-yl)propan-1-amine

2-(2-butyl-5,6-dichlorobenzimidazol-1-yl)propan-1-amine (PubChem CID 82145993) has the molecular formula C14H19Cl2N3 and a molecular weight of 300.23 g/mol. Its IUPAC name is 2-(2-butyl-5,6-dichlorobenzimidazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name2-(2-butyl-5,6-dichlorobenzimidazol-1-yl)propan-1-amine
PubChem CID82145993
Molecular FormulaC14H19Cl2N3
Molecular Weight300.23 g/mol
Exact Mass299.10
IUPAC Name2-(2-butyl-5,6-dichlorobenzimidazol-1-yl)propan-1-amine
SMILESCCCCc1nc2cc(Cl)c(Cl)cc2n1C(C)CN
InChIInChI=1S/C14H19Cl2N3/c1-3-4-5-14-18-12-6-10(15)11(16)7-13(12)19(14)9(2)8-17/h6-7,9H,3-5,8,17H2,1-2H3
InChIKeyZKXDTGHNWCHXEI-UHFFFAOYSA-N
XLogP4.21
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-butylbenzimidazol-1-yl)propan-1-amine
CID 82144544
2-(5,6-dichloro-2-propylbenzimidazol-1-yl)propanoic acid
CID 82145985
2-(2-butyl-5,6-dichlorobenzimidazol-1-yl)ethanethioamide
CID 39158125
2-(5,6-dichloro-2-cyclobutylbenzimidazol-1-yl)propan-1-amine
CID 82146040
4-(2-butyl-5,6-dichlorobenzimidazol-1-yl)butanenitrile
CID 94757417
5-chloro-2-(2-chloroethyl)-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazole
CID 66111033
2-(2-chloroethyl)-5-fluoro-1-octan-2-ylbenzimidazole
CID 63546138
1-pentan-2-yl-2-propylbenzimidazol-5-amine
CID 55079982
2-(chloromethyl)-5-fluoro-1-heptan-2-yl-6-methylbenzimidazole
CID 103593497
4-[5,6-dichloro-2-(2-methylpropyl)benzimidazol-1-yl]butan-1-amine
CID 94749196
2-[6-(2-phenylethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine
CID 82145714
N-[[1-(1-aminopropan-2-yl)benzimidazol-2-yl]methyl]-N-methylbutan-1-amine
CID 82311321

Frequently Asked Questions

What is the IUPAC name of 2-(2-butyl-5,6-dichlorobenzimidazol-1-yl)propan-1-amine?
The IUPAC name of 2-(2-butyl-5,6-dichlorobenzimidazol-1-yl)propan-1-amine (CID 82145993) is 2-(2-butyl-5,6-dichlorobenzimidazol-1-yl)propan-1-amine.
What is the SMILES notation for 2-(2-butyl-5,6-dichlorobenzimidazol-1-yl)propan-1-amine?
The canonical SMILES for 2-(2-butyl-5,6-dichlorobenzimidazol-1-yl)propan-1-amine is CCCCc1nc2cc(Cl)c(Cl)cc2n1C(C)CN.
What is the InChIKey of 2-(2-butyl-5,6-dichlorobenzimidazol-1-yl)propan-1-amine?
The InChIKey is ZKXDTGHNWCHXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3/c1-3-4-5-14-18-12-6-10(15)11(16)7-13(12)19(14)9(2)8-17/h6-7,9H,3-5,8,17H2,1-2H3.
What are the key properties of 2-(2-butyl-5,6-dichlorobenzimidazol-1-yl)propan-1-amine?
2-(2-butyl-5,6-dichlorobenzimidazol-1-yl)propan-1-amine has a molecular weight of 300.23 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butyl-5,6-dichlorobenzimidazol-1-yl)propan-1-amine is sourced from PubChem (CID 82145993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).