N-[2-(4-bromo-1-methylbenzimidazol-2-yl)ethyl]cyclopropanamine

C13H16BrN3 — CID 84644086

IUPACN-[2-(4-bromo-1-methylbenzimidazol-2-yl)ethyl]cyclopropanamine
SMILESCn1c(CCNC2CC2)nc2c(Br)cccc21
InChIInChI=1S/C13H16BrN3/c1-17-11-4-2-3-10(14)13(11)16-12(17)7-8-15-9-5-6-9/h2-4,9,15H,5-8H2,1H3
InChIKeySNOYHCHTAZXOHW-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.63
Rot. Bonds4

About N-[2-(4-bromo-1-methylbenzimidazol-2-yl)ethyl]cyclopropanamine

N-[2-(4-bromo-1-methylbenzimidazol-2-yl)ethyl]cyclopropanamine (PubChem CID 84644086) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is N-[2-(4-bromo-1-methylbenzimidazol-2-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-bromo-1-methylbenzimidazol-2-yl)ethyl]cyclopropanamine
PubChem CID84644086
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC NameN-[2-(4-bromo-1-methylbenzimidazol-2-yl)ethyl]cyclopropanamine
SMILESCn1c(CCNC2CC2)nc2c(Br)cccc21
InChIInChI=1S/C13H16BrN3/c1-17-11-4-2-3-10(14)13(11)16-12(17)7-8-15-9-5-6-9/h2-4,9,15H,5-8H2,1H3
InChIKeySNOYHCHTAZXOHW-UHFFFAOYSA-N
XLogP2.63
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-chloro-1,4-dimethylbenzimidazol-2-yl)ethyl]cyclopropanamine
CID 84639383
N-[2-(1,5,6-trimethylbenzimidazol-2-yl)ethyl]cyclopropanamine
CID 84631024
N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]cyclopropanamine
CID 63756601
2-[2-(cyclopropylamino)ethyl]-3-methylbenzimidazole-5-carbonitrile
CID 84629734
N-[2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethyl]cyclopropanamine
CID 81455530
N-[2-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]cyclopropanamine
CID 54924007
2-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976059
N-[(5-bromo-1-methylbenzimidazol-2-yl)methyl]cyclopropanamine
CID 60836537
4-bromo-2-tert-butyl-1-methylbenzimidazole
CID 82379645
N-[(1-methylbenzimidazol-2-yl)methyl]-4-propylcyclohexan-1-amine
CID 60665222
N-[3-(2-bromophenyl)propyl]cyclopropanamine
CID 62528627
N-[3-(1-methylbenzimidazol-2-yl)propyl]thian-3-amine
CID 122559427

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-1-methylbenzimidazol-2-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(4-bromo-1-methylbenzimidazol-2-yl)ethyl]cyclopropanamine (CID 84644086) is N-[2-(4-bromo-1-methylbenzimidazol-2-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-bromo-1-methylbenzimidazol-2-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-bromo-1-methylbenzimidazol-2-yl)ethyl]cyclopropanamine is Cn1c(CCNC2CC2)nc2c(Br)cccc21.
What is the InChIKey of N-[2-(4-bromo-1-methylbenzimidazol-2-yl)ethyl]cyclopropanamine?
The InChIKey is SNOYHCHTAZXOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-17-11-4-2-3-10(14)13(11)16-12(17)7-8-15-9-5-6-9/h2-4,9,15H,5-8H2,1H3.
What are the key properties of N-[2-(4-bromo-1-methylbenzimidazol-2-yl)ethyl]cyclopropanamine?
N-[2-(4-bromo-1-methylbenzimidazol-2-yl)ethyl]cyclopropanamine has a molecular weight of 294.20 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-1-methylbenzimidazol-2-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 84644086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).