1-[(4-iodophenyl)methyl]-2-propylbenzimidazole

C17H17IN2 — CID 115970804

IUPAC1-[(4-iodophenyl)methyl]-2-propylbenzimidazole
SMILESCCCc1nc2ccccc2n1Cc1ccc(I)cc1
InChIInChI=1S/C17H17IN2/c1-2-5-17-19-15-6-3-4-7-16(15)20(17)12-13-8-10-14(18)11-9-13/h3-4,6-11H,2,5,12H2,1H3
InChIKeyWOAMQYBTQPYLIJ-UHFFFAOYSA-N
MW376.24 g/mol
LogP4.64
Rot. Bonds4

About 1-[(4-iodophenyl)methyl]-2-propylbenzimidazole

1-[(4-iodophenyl)methyl]-2-propylbenzimidazole (PubChem CID 115970804) has the molecular formula C17H17IN2 and a molecular weight of 376.24 g/mol. Its IUPAC name is 1-[(4-iodophenyl)methyl]-2-propylbenzimidazole.

Molecular Properties

Compound Name1-[(4-iodophenyl)methyl]-2-propylbenzimidazole
PubChem CID115970804
Molecular FormulaC17H17IN2
Molecular Weight376.24 g/mol
Exact Mass376.04
IUPAC Name1-[(4-iodophenyl)methyl]-2-propylbenzimidazole
SMILESCCCc1nc2ccccc2n1Cc1ccc(I)cc1
InChIInChI=1S/C17H17IN2/c1-2-5-17-19-15-6-3-4-7-16(15)20(17)12-13-8-10-14(18)11-9-13/h3-4,6-11H,2,5,12H2,1H3
InChIKeyWOAMQYBTQPYLIJ-UHFFFAOYSA-N
XLogP4.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-methylphenyl)methyl]-2-propylbenzimidazole
CID 884778
1-benzyl-2-propylbenzimidazole
CID 764560
1-[(3,4-difluorophenyl)methyl]-2-propylbenzimidazole
CID 115571780
4-[(2-butylbenzimidazol-1-yl)methyl]aniline
CID 54524981
1-[(4-chlorophenyl)methyl]-2-pentylbenzimidazole
CID 4627166
2-propyl-1-(pyrimidin-2-ylmethyl)benzimidazole
CID 116626997
1-[(3-bromophenyl)methyl]-2-propylbenzimidazole
CID 115569313
1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole
CID 21369618
2-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]cyclopentane-1-carboxylic acid
CID 15284923
1-[(5-chloro-2-fluorophenyl)methyl]-2-propylbenzimidazole
CID 103050144
4-[(2-butylbenzimidazol-1-yl)methyl]benzoic acid
CID 14987298
3-[(2-propylbenzimidazol-1-yl)methyl]benzonitrile
CID 39148040

Frequently Asked Questions

What is the IUPAC name of 1-[(4-iodophenyl)methyl]-2-propylbenzimidazole?
The IUPAC name of 1-[(4-iodophenyl)methyl]-2-propylbenzimidazole (CID 115970804) is 1-[(4-iodophenyl)methyl]-2-propylbenzimidazole.
What is the SMILES notation for 1-[(4-iodophenyl)methyl]-2-propylbenzimidazole?
The canonical SMILES for 1-[(4-iodophenyl)methyl]-2-propylbenzimidazole is CCCc1nc2ccccc2n1Cc1ccc(I)cc1.
What is the InChIKey of 1-[(4-iodophenyl)methyl]-2-propylbenzimidazole?
The InChIKey is WOAMQYBTQPYLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IN2/c1-2-5-17-19-15-6-3-4-7-16(15)20(17)12-13-8-10-14(18)11-9-13/h3-4,6-11H,2,5,12H2,1H3.
What are the key properties of 1-[(4-iodophenyl)methyl]-2-propylbenzimidazole?
1-[(4-iodophenyl)methyl]-2-propylbenzimidazole has a molecular weight of 376.24 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-iodophenyl)methyl]-2-propylbenzimidazole is sourced from PubChem (CID 115970804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).