2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-2-amine

C13H18ClN3 — CID 61266514

IUPAC2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-2-amine
SMILESCC(C)n1c(C(C)(C)N)nc2cc(Cl)ccc21
InChIInChI=1S/C13H18ClN3/c1-8(2)17-11-6-5-9(14)7-10(11)16-12(17)13(3,4)15/h5-8H,15H2,1-4H3
InChIKeyJTZYBNATLRBKRH-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.46
Rot. Bonds2

About 2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-2-amine

2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-2-amine (PubChem CID 61266514) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is 2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-2-amine
PubChem CID61266514
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Name2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-2-amine
SMILESCC(C)n1c(C(C)(C)N)nc2cc(Cl)ccc21
InChIInChI=1S/C13H18ClN3/c1-8(2)17-11-6-5-9(14)7-10(11)16-12(17)13(3,4)15/h5-8H,15H2,1-4H3
InChIKeyJTZYBNATLRBKRH-UHFFFAOYSA-N
XLogP3.46
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-[(1S)-1-chloroethyl]-1-propan-2-ylbenzimidazole
CID 93258606
2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 46310662
2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 55105214
5-chloro-1-propan-2-ylbenzimidazole-2-carbaldehyde
CID 50877058
3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
CID 60785666
cis-(1S,3R)-3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine
CID 106322507
2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanol
CID 83868113
4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-methylphenol
CID 136750866
4-[(5-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol
CID 60785204
5-chloro-2-(chloromethyl)-1-(3,3-dimethylbutan-2-yl)benzimidazole
CID 104829067
1-(5-chloro-1-methylbenzimidazol-2-yl)-1-cyclopropylethanamine
CID 64669270
2-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazole
CID 46310550

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-2-amine?
The IUPAC name of 2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-2-amine (CID 61266514) is 2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-2-amine.
What is the SMILES notation for 2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-2-amine?
The canonical SMILES for 2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-2-amine is CC(C)n1c(C(C)(C)N)nc2cc(Cl)ccc21.
What is the InChIKey of 2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-2-amine?
The InChIKey is JTZYBNATLRBKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3/c1-8(2)17-11-6-5-9(14)7-10(11)16-12(17)13(3,4)15/h5-8H,15H2,1-4H3.
What are the key properties of 2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-2-amine?
2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-2-amine has a molecular weight of 251.76 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-2-amine is sourced from PubChem (CID 61266514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).