[1-(6-bromo-1-ethylbenzimidazol-2-yl)-3-methylbutyl] carbamate

C15H20BrN3O2 — CID 67249569

IUPAC[1-(6-bromo-1-ethylbenzimidazol-2-yl)-3-methylbutyl] carbamate
SMILESCCn1c(C(CC(C)C)OC(N)=O)nc2ccc(Br)cc21
InChIInChI=1S/C15H20BrN3O2/c1-4-19-12-8-10(16)5-6-11(12)18-14(19)13(7-9(2)3)21-15(17)20/h5-6,8-9,13H,4,7H2,1-3H3,(H2,17,20)
InChIKeyOYDPAYINJZKNKF-UHFFFAOYSA-N
MW354.25 g/mol
LogP4.00
Rot. Bonds5

About [1-(6-bromo-1-ethylbenzimidazol-2-yl)-3-methylbutyl] carbamate

[1-(6-bromo-1-ethylbenzimidazol-2-yl)-3-methylbutyl] carbamate (PubChem CID 67249569) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is [1-(6-bromo-1-ethylbenzimidazol-2-yl)-3-methylbutyl] carbamate.

Molecular Properties

Compound Name[1-(6-bromo-1-ethylbenzimidazol-2-yl)-3-methylbutyl] carbamate
PubChem CID67249569
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name[1-(6-bromo-1-ethylbenzimidazol-2-yl)-3-methylbutyl] carbamate
SMILESCCn1c(C(CC(C)C)OC(N)=O)nc2ccc(Br)cc21
InChIInChI=1S/C15H20BrN3O2/c1-4-19-12-8-10(16)5-6-11(12)18-14(19)13(7-9(2)3)21-15(17)20/h5-6,8-9,13H,4,7H2,1-3H3,(H2,17,20)
InChIKeyOYDPAYINJZKNKF-UHFFFAOYSA-N
XLogP4.00
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[6-bromo-2-(1-chloroethyl)benzimidazol-1-yl]acetate
CID 65344996
1-(5-bromo-1-ethylbenzimidazol-2-yl)ethanol
CID 63023634
(6-bromo-1-ethylbenzimidazol-2-yl)methanol
CID 67247825
ethyl 2-(1-ethylbenzimidazol-2-yl)-4-methylpentanoate
CID 79480772
2-methylpropyl 6-bromo-2-methylbenzimidazole-1-carboxylate
CID 67618095
2-[6-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-N,N-dimethylacetamide
CID 65345135
2-(6-bromo-2-methylbenzimidazol-1-yl)acetic acid
CID 84808508
methyl 2-[6-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-3-methylbutanoate
CID 65346234
6-bromo-2-(1-chloroethyl)-1-(5-methylhexyl)benzimidazole
CID 115326631
6-bromo-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole
CID 65345262
methyl 3-[2-(1-aminoethyl)-3-ethylbenzimidazol-5-yl]propanoate
CID 87324396
2-[6-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-N-tert-butylacetamide
CID 115357062

Frequently Asked Questions

What is the IUPAC name of [1-(6-bromo-1-ethylbenzimidazol-2-yl)-3-methylbutyl] carbamate?
The IUPAC name of [1-(6-bromo-1-ethylbenzimidazol-2-yl)-3-methylbutyl] carbamate (CID 67249569) is [1-(6-bromo-1-ethylbenzimidazol-2-yl)-3-methylbutyl] carbamate.
What is the SMILES notation for [1-(6-bromo-1-ethylbenzimidazol-2-yl)-3-methylbutyl] carbamate?
The canonical SMILES for [1-(6-bromo-1-ethylbenzimidazol-2-yl)-3-methylbutyl] carbamate is CCn1c(C(CC(C)C)OC(N)=O)nc2ccc(Br)cc21.
What is the InChIKey of [1-(6-bromo-1-ethylbenzimidazol-2-yl)-3-methylbutyl] carbamate?
The InChIKey is OYDPAYINJZKNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c1-4-19-12-8-10(16)5-6-11(12)18-14(19)13(7-9(2)3)21-15(17)20/h5-6,8-9,13H,4,7H2,1-3H3,(H2,17,20).
What are the key properties of [1-(6-bromo-1-ethylbenzimidazol-2-yl)-3-methylbutyl] carbamate?
[1-(6-bromo-1-ethylbenzimidazol-2-yl)-3-methylbutyl] carbamate has a molecular weight of 354.25 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-bromo-1-ethylbenzimidazol-2-yl)-3-methylbutyl] carbamate is sourced from PubChem (CID 67249569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).