N-[2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopropanamine

C15H20ClN3 — CID 60837684

IUPACN-[2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopropanamine
SMILESCC(C)n1c(CCNC2CC2)nc2cc(Cl)ccc21
InChIInChI=1S/C15H20ClN3/c1-10(2)19-14-6-3-11(16)9-13(14)18-15(19)7-8-17-12-4-5-12/h3,6,9-10,12,17H,4-5,7-8H2,1-2H3
InChIKeyYLARCHRIYWYQDF-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.57
Rot. Bonds5

About N-[2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopropanamine

N-[2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopropanamine (PubChem CID 60837684) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is N-[2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopropanamine
PubChem CID60837684
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC NameN-[2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopropanamine
SMILESCC(C)n1c(CCNC2CC2)nc2cc(Cl)ccc21
InChIInChI=1S/C15H20ClN3/c1-10(2)19-14-6-3-11(16)9-13(14)18-15(19)7-8-17-12-4-5-12/h3,6,9-10,12,17H,4-5,7-8H2,1-2H3
InChIKeyYLARCHRIYWYQDF-UHFFFAOYSA-N
XLogP3.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 46310662
2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanol
CID 83868113
5-chloro-2-(2-chloroethyl)-1-(3-methylbutan-2-yl)benzimidazole
CID 43666604
5-chloro-2-[(1S)-1-chloroethyl]-1-propan-2-ylbenzimidazole
CID 93258606
4-[(5-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol
CID 60785204
5-chloro-2-(phenoxymethyl)-1-propan-2-ylbenzimidazole
CID 46310630
N-[2-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]cyclopropanamine
CID 54924007
N-[2-(1,5,6-trimethylbenzimidazol-2-yl)ethyl]cyclopropanamine
CID 84631024
N-ethyl-2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 62327256
2-methyl-N-[2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82333157
2-methyl-N-[2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 60835528
N-[2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethyl]cyclopropanamine
CID 81455530

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopropanamine (CID 60837684) is N-[2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopropanamine is CC(C)n1c(CCNC2CC2)nc2cc(Cl)ccc21.
What is the InChIKey of N-[2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopropanamine?
The InChIKey is YLARCHRIYWYQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-10(2)19-14-6-3-11(16)9-13(14)18-15(19)7-8-17-12-4-5-12/h3,6,9-10,12,17H,4-5,7-8H2,1-2H3.
What are the key properties of N-[2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopropanamine?
N-[2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopropanamine has a molecular weight of 277.80 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 60837684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).