1-ethyl-3-propylbenzimidazol-2-imine;hydrobromide

C12H18BrN3 — CID 52997879

IUPAC1-ethyl-3-propylbenzimidazol-2-imine;hydrobromide
SMILESBr.[H]/N=c1\n(CC)c2ccccc2n1CCC
InChIInChI=1S/C12H17N3.BrH/c1-3-9-15-11-8-6-5-7-10(11)14(4-2)12(15)13;/h5-8,13H,3-4,9H2,1-2H3;1H/b13-12+;
InChIKeyROCXOLBLOQJPCN-UEIGIMKUSA-N
MW284.20 g/mol
LogP2.93
Rot. Bonds3

About 1-ethyl-3-propylbenzimidazol-2-imine;hydrobromide

1-ethyl-3-propylbenzimidazol-2-imine;hydrobromide (PubChem CID 52997879) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 1-ethyl-3-propylbenzimidazol-2-imine;hydrobromide.

Molecular Properties

Compound Name1-ethyl-3-propylbenzimidazol-2-imine;hydrobromide
PubChem CID52997879
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name1-ethyl-3-propylbenzimidazol-2-imine;hydrobromide
SMILESBr.[H]/N=c1\n(CC)c2ccccc2n1CCC
InChIInChI=1S/C12H17N3.BrH/c1-3-9-15-11-8-6-5-7-10(11)14(4-2)12(15)13;/h5-8,13H,3-4,9H2,1-2H3;1H/b13-12+;
InChIKeyROCXOLBLOQJPCN-UEIGIMKUSA-N
XLogP2.93
TPSA33.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride
CID 2857928
2-imino-3-propylbenzimidazol-1-amine;hydroiodide
CID 2853922
1-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol
CID 3123773
1-ethyl-3-(2-phenoxyethyl)benzimidazol-2-imine
CID 762258
1-[(2-bromophenyl)methyl]-3-propylbenzimidazol-2-imine
CID 17272639
1-[2-(2-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine;hydrobromide
CID 2932291
1-[[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]methyl]-3-propylbenzimidazol-2-imine
CID 70881475
1-[2-(4-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine
CID 3356244
1-(octoxymethyl)-3-propylbenzimidazol-2-imine;hydrochloride
CID 44888968
1-[2-(4-chlorophenoxy)ethyl]-3-propylbenzimidazol-2-imine
CID 3778765
1-ethyl-3-[3-(4-fluorophenoxy)propyl]benzimidazol-2-imine
CID 22332685
methyl 2-[2-(2-imino-3-propylbenzimidazol-1-yl)acetyl]benzoate;hydrobromide
CID 44889409

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-propylbenzimidazol-2-imine;hydrobromide?
The IUPAC name of 1-ethyl-3-propylbenzimidazol-2-imine;hydrobromide (CID 52997879) is 1-ethyl-3-propylbenzimidazol-2-imine;hydrobromide.
What is the SMILES notation for 1-ethyl-3-propylbenzimidazol-2-imine;hydrobromide?
The canonical SMILES for 1-ethyl-3-propylbenzimidazol-2-imine;hydrobromide is Br.[H]/N=c1\n(CC)c2ccccc2n1CCC.
What is the InChIKey of 1-ethyl-3-propylbenzimidazol-2-imine;hydrobromide?
The InChIKey is ROCXOLBLOQJPCN-UEIGIMKUSA-N. The full InChI is InChI=1S/C12H17N3.BrH/c1-3-9-15-11-8-6-5-7-10(11)14(4-2)12(15)13;/h5-8,13H,3-4,9H2,1-2H3;1H/b13-12+;.
What are the key properties of 1-ethyl-3-propylbenzimidazol-2-imine;hydrobromide?
1-ethyl-3-propylbenzimidazol-2-imine;hydrobromide has a molecular weight of 284.20 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-propylbenzimidazol-2-imine;hydrobromide is sourced from PubChem (CID 52997879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).