(5-bromo-2-ethylbenzimidazol-1-yl)-iodophosphane

C9H9BrIN2P — CID 177354823

IUPAC(5-bromo-2-ethylbenzimidazol-1-yl)-iodophosphane
SMILESCCc1nc2cc(Br)ccc2n1PI
InChIInChI=1S/C9H9BrIN2P/c1-2-9-12-7-5-6(10)3-4-8(7)13(9)14-11/h3-5,14H,2H2,1H3
InChIKeyYUWFHUHEPFUHLV-UHFFFAOYSA-N
MW382.97 g/mol
LogP4.15
Rot. Bonds2

About (5-bromo-2-ethylbenzimidazol-1-yl)-iodophosphane

(5-bromo-2-ethylbenzimidazol-1-yl)-iodophosphane (PubChem CID 177354823) has the molecular formula C9H9BrIN2P and a molecular weight of 382.97 g/mol. Its IUPAC name is (5-bromo-2-ethylbenzimidazol-1-yl)-iodophosphane.

Molecular Properties

Compound Name(5-bromo-2-ethylbenzimidazol-1-yl)-iodophosphane
PubChem CID177354823
Molecular FormulaC9H9BrIN2P
Molecular Weight382.97 g/mol
Exact Mass381.87
IUPAC Name(5-bromo-2-ethylbenzimidazol-1-yl)-iodophosphane
SMILESCCc1nc2cc(Br)ccc2n1PI
InChIInChI=1S/C9H9BrIN2P/c1-2-9-12-7-5-6(10)3-4-8(7)13(9)14-11/h3-5,14H,2H2,1H3
InChIKeyYUWFHUHEPFUHLV-UHFFFAOYSA-N
XLogP4.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.97
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-ethyl-1-methylbenzimidazole
CID 84701099
2-(5-bromo-2-ethylbenzimidazol-1-yl)ethanamine
CID 84808266
3-(5-bromo-2-ethylbenzimidazol-1-yl)propanoic acid
CID 84815767
5-bromo-1,2-bis(2,2-dimethylpropyl)benzimidazole
CID 90864285
4-(5-bromo-1-methylbenzimidazol-2-yl)-2-methylbutan-1-amine
CID 82683696
4-(5-bromo-1-ethylbenzimidazol-2-yl)-2-methylbutan-2-amine
CID 62047954
2-(5-bromo-1-ethylbenzimidazol-2-yl)acetonitrile
CID 82332810
1-(2,4-dibromophenyl)-2-ethylbenzimidazol-5-amine
CID 63495969
5-bromo-1-butyl-2-(2-methoxyethyl)benzimidazole
CID 22730799
N-[(5-bromo-1-methylbenzimidazol-2-yl)methyl]cyclopropanamine
CID 60836537
5-(4-bromophenyl)-2-ethyl-1-phenylbenzimidazole
CID 162513572
3-(5-bromo-1-methylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one
CID 79873273

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-ethylbenzimidazol-1-yl)-iodophosphane?
The IUPAC name of (5-bromo-2-ethylbenzimidazol-1-yl)-iodophosphane (CID 177354823) is (5-bromo-2-ethylbenzimidazol-1-yl)-iodophosphane.
What is the SMILES notation for (5-bromo-2-ethylbenzimidazol-1-yl)-iodophosphane?
The canonical SMILES for (5-bromo-2-ethylbenzimidazol-1-yl)-iodophosphane is CCc1nc2cc(Br)ccc2n1PI.
What is the InChIKey of (5-bromo-2-ethylbenzimidazol-1-yl)-iodophosphane?
The InChIKey is YUWFHUHEPFUHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrIN2P/c1-2-9-12-7-5-6(10)3-4-8(7)13(9)14-11/h3-5,14H,2H2,1H3.
What are the key properties of (5-bromo-2-ethylbenzimidazol-1-yl)-iodophosphane?
(5-bromo-2-ethylbenzimidazol-1-yl)-iodophosphane has a molecular weight of 382.97 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-ethylbenzimidazol-1-yl)-iodophosphane is sourced from PubChem (CID 177354823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).