N-[2-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]cyclopropanamine

C14H18BrN3 — CID 54924007

IUPACN-[2-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]cyclopropanamine
SMILESCCn1c(CCNC2CC2)nc2cc(Br)ccc21
InChIInChI=1S/C14H18BrN3/c1-2-18-13-6-3-10(15)9-12(13)17-14(18)7-8-16-11-4-5-11/h3,6,9,11,16H,2,4-5,7-8H2,1H3
InChIKeyRLEVJJPGNGYVMQ-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.11
Rot. Bonds5

About N-[2-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]cyclopropanamine

N-[2-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]cyclopropanamine (PubChem CID 54924007) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is N-[2-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]cyclopropanamine
PubChem CID54924007
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC NameN-[2-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]cyclopropanamine
SMILESCCn1c(CCNC2CC2)nc2cc(Br)ccc21
InChIInChI=1S/C14H18BrN3/c1-2-18-13-6-3-10(15)9-12(13)17-14(18)7-8-16-11-4-5-11/h3,6,9,11,16H,2,4-5,7-8H2,1H3
InChIKeyRLEVJJPGNGYVMQ-UHFFFAOYSA-N
XLogP3.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-ethyl-2-(2-piperidin-2-ylethyl)benzimidazole
CID 62218072
N-[(5-bromo-1-methylbenzimidazol-2-yl)methyl]cyclopropanamine
CID 60836537
4-(5-bromo-1-ethylbenzimidazol-2-yl)-2-methylbutan-2-amine
CID 62047954
N-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]cyclopropanamine
CID 63758859
2-(5-bromo-1-ethylbenzimidazol-2-yl)acetonitrile
CID 82332810
N-[2-(1,5,6-trimethylbenzimidazol-2-yl)ethyl]cyclopropanamine
CID 84631024
1-(5-bromo-1-ethylbenzimidazol-2-yl)-N-ethylpropan-2-amine
CID 62828331
N-[(5-bromo-1-ethylbenzimidazol-2-yl)methyl]-4-chloroaniline
CID 60837375
N-[2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopropanamine
CID 60837684
N-[2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethyl]cyclopropanamine
CID 81455530
N-[1-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 63023819
2-[5-bromo-1-(cyclopentylmethyl)benzimidazol-2-yl]ethanol
CID 58189371

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]cyclopropanamine (CID 54924007) is N-[2-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]cyclopropanamine is CCn1c(CCNC2CC2)nc2cc(Br)ccc21.
What is the InChIKey of N-[2-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]cyclopropanamine?
The InChIKey is RLEVJJPGNGYVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-2-18-13-6-3-10(15)9-12(13)17-14(18)7-8-16-11-4-5-11/h3,6,9,11,16H,2,4-5,7-8H2,1H3.
What are the key properties of N-[2-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]cyclopropanamine?
N-[2-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]cyclopropanamine has a molecular weight of 308.22 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 54924007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).