N-[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)ethyl]cyclopropanamine

C13H16BrN3 — CID 84644091

IUPACN-[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)ethyl]cyclopropanamine
SMILESCc1cc(Br)cc2[nH]c(CCNC3CC3)nc12
InChIInChI=1S/C13H16BrN3/c1-8-6-9(14)7-11-13(8)17-12(16-11)4-5-15-10-2-3-10/h6-7,10,15H,2-5H2,1H3,(H,16,17)
InChIKeyQEQIOSGEKOTSSI-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.93
Rot. Bonds4

About N-[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)ethyl]cyclopropanamine

N-[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)ethyl]cyclopropanamine (PubChem CID 84644091) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is N-[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)ethyl]cyclopropanamine
PubChem CID84644091
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC NameN-[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)ethyl]cyclopropanamine
SMILESCc1cc(Br)cc2[nH]c(CCNC3CC3)nc12
InChIInChI=1S/C13H16BrN3/c1-8-6-9(14)7-11-13(8)17-12(16-11)4-5-15-10-2-3-10/h6-7,10,15H,2-5H2,1H3,(H,16,17)
InChIKeyQEQIOSGEKOTSSI-UHFFFAOYSA-N
XLogP2.93
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)ethyl]cyclopropanamine (CID 84644091) is N-[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)ethyl]cyclopropanamine is Cc1cc(Br)cc2[nH]c(CCNC3CC3)nc12.
What is the InChIKey of N-[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)ethyl]cyclopropanamine?
The InChIKey is QEQIOSGEKOTSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-8-6-9(14)7-11-13(8)17-12(16-11)4-5-15-10-2-3-10/h6-7,10,15H,2-5H2,1H3,(H,16,17).
What are the key properties of N-[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)ethyl]cyclopropanamine?
N-[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)ethyl]cyclopropanamine has a molecular weight of 294.20 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 84644091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).