7-iodo-1-phenylbenzimidazole-5-carbonitrile

C14H8IN3 — CID 67485627

IUPAC7-iodo-1-phenylbenzimidazole-5-carbonitrile
SMILESN#Cc1cc(I)c2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C14H8IN3/c15-12-6-10(8-16)7-13-14(12)18(9-17-13)11-4-2-1-3-5-11/h1-7,9H
InChIKeyYERIFSRQMFIWAK-UHFFFAOYSA-N
MW345.14 g/mol
LogP3.50
Rot. Bonds1

About 7-iodo-1-phenylbenzimidazole-5-carbonitrile

7-iodo-1-phenylbenzimidazole-5-carbonitrile (PubChem CID 67485627) has the molecular formula C14H8IN3 and a molecular weight of 345.14 g/mol. Its IUPAC name is 7-iodo-1-phenylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name7-iodo-1-phenylbenzimidazole-5-carbonitrile
PubChem CID67485627
Molecular FormulaC14H8IN3
Molecular Weight345.14 g/mol
Exact Mass344.98
IUPAC Name7-iodo-1-phenylbenzimidazole-5-carbonitrile
SMILESN#Cc1cc(I)c2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C14H8IN3/c15-12-6-10(8-16)7-13-14(12)18(9-17-13)11-4-2-1-3-5-11/h1-7,9H
InChIKeyYERIFSRQMFIWAK-UHFFFAOYSA-N
XLogP3.50
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.14
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-iodo-1-phenylbenzimidazole-5-carbonitrile?
The IUPAC name of 7-iodo-1-phenylbenzimidazole-5-carbonitrile (CID 67485627) is 7-iodo-1-phenylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 7-iodo-1-phenylbenzimidazole-5-carbonitrile?
The canonical SMILES for 7-iodo-1-phenylbenzimidazole-5-carbonitrile is N#Cc1cc(I)c2c(c1)ncn2-c1ccccc1.
What is the InChIKey of 7-iodo-1-phenylbenzimidazole-5-carbonitrile?
The InChIKey is YERIFSRQMFIWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8IN3/c15-12-6-10(8-16)7-13-14(12)18(9-17-13)11-4-2-1-3-5-11/h1-7,9H.
What are the key properties of 7-iodo-1-phenylbenzimidazole-5-carbonitrile?
7-iodo-1-phenylbenzimidazole-5-carbonitrile has a molecular weight of 345.14 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-1-phenylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 67485627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).