2-iodo-1-(2-pyridin-2-ylethyl)benzimidazole

C14H12IN3 — CID 134859025

IUPAC2-iodo-1-(2-pyridin-2-ylethyl)benzimidazole
SMILESIc1nc2ccccc2n1CCc1ccccn1
InChIInChI=1S/C14H12IN3/c15-14-17-12-6-1-2-7-13(12)18(14)10-8-11-5-3-4-9-16-11/h1-7,9H,8,10H2
InChIKeyDBVMOUSNJLVPKT-UHFFFAOYSA-N
MW349.18 g/mol
LogP3.28
Rot. Bonds3

About 2-iodo-1-(2-pyridin-2-ylethyl)benzimidazole

2-iodo-1-(2-pyridin-2-ylethyl)benzimidazole (PubChem CID 134859025) has the molecular formula C14H12IN3 and a molecular weight of 349.18 g/mol. Its IUPAC name is 2-iodo-1-(2-pyridin-2-ylethyl)benzimidazole.

Molecular Properties

Compound Name2-iodo-1-(2-pyridin-2-ylethyl)benzimidazole
PubChem CID134859025
Molecular FormulaC14H12IN3
Molecular Weight349.18 g/mol
Exact Mass349.01
IUPAC Name2-iodo-1-(2-pyridin-2-ylethyl)benzimidazole
SMILESIc1nc2ccccc2n1CCc1ccccn1
InChIInChI=1S/C14H12IN3/c15-14-17-12-6-1-2-7-13(12)18(14)10-8-11-5-3-4-9-16-11/h1-7,9H,8,10H2
InChIKeyDBVMOUSNJLVPKT-UHFFFAOYSA-N
XLogP3.28
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-1-(2-pyridin-2-ylethyl)benzimidazole
CID 12758390
N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrimidine-2-carboxamide
CID 167971405
2-(2-chloroethyl)-5-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole
CID 43666287
5-bromo-4-methyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]thiophene-3-carboxamide
CID 167979091
N-methyl-3-(2-methylbenzimidazol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 91648936
2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]acetonitrile
CID 55246838
N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 167991259
3,4-dibromo-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]thiophene-2-carboxamide
CID 167838423
3-amino-6-bromo-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazine-2-carboxamide
CID 167796521
4-chloro-2-(chloromethyl)-1-(2-pyridin-2-ylethyl)benzimidazole
CID 104837353
1-propan-2-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]triazole-4-carboxamide
CID 167815697
1-[5-methyl-1-(2-pyridin-2-ylethyl)imidazol-2-yl]benzotriazole
CID 122451985

Frequently Asked Questions

What is the IUPAC name of 2-iodo-1-(2-pyridin-2-ylethyl)benzimidazole?
The IUPAC name of 2-iodo-1-(2-pyridin-2-ylethyl)benzimidazole (CID 134859025) is 2-iodo-1-(2-pyridin-2-ylethyl)benzimidazole.
What is the SMILES notation for 2-iodo-1-(2-pyridin-2-ylethyl)benzimidazole?
The canonical SMILES for 2-iodo-1-(2-pyridin-2-ylethyl)benzimidazole is Ic1nc2ccccc2n1CCc1ccccn1.
What is the InChIKey of 2-iodo-1-(2-pyridin-2-ylethyl)benzimidazole?
The InChIKey is DBVMOUSNJLVPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12IN3/c15-14-17-12-6-1-2-7-13(12)18(14)10-8-11-5-3-4-9-16-11/h1-7,9H,8,10H2.
What are the key properties of 2-iodo-1-(2-pyridin-2-ylethyl)benzimidazole?
2-iodo-1-(2-pyridin-2-ylethyl)benzimidazole has a molecular weight of 349.18 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1-(2-pyridin-2-ylethyl)benzimidazole is sourced from PubChem (CID 134859025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).