7-chloro-2-(4-iodophenyl)-1-propylbenzimidazole

C16H14ClIN2 — CID 68721057

IUPAC7-chloro-2-(4-iodophenyl)-1-propylbenzimidazole
SMILESCCCn1c(-c2ccc(I)cc2)nc2cccc(Cl)c21
InChIInChI=1S/C16H14ClIN2/c1-2-10-20-15-13(17)4-3-5-14(15)19-16(20)11-6-8-12(18)9-7-11/h3-9H,2,10H2,1H3
InChIKeyTXMDAJXBYBBWAG-UHFFFAOYSA-N
MW396.66 g/mol
LogP5.37
Rot. Bonds3

About 7-chloro-2-(4-iodophenyl)-1-propylbenzimidazole

7-chloro-2-(4-iodophenyl)-1-propylbenzimidazole (PubChem CID 68721057) has the molecular formula C16H14ClIN2 and a molecular weight of 396.66 g/mol. Its IUPAC name is 7-chloro-2-(4-iodophenyl)-1-propylbenzimidazole.

Molecular Properties

Compound Name7-chloro-2-(4-iodophenyl)-1-propylbenzimidazole
PubChem CID68721057
Molecular FormulaC16H14ClIN2
Molecular Weight396.66 g/mol
Exact Mass395.99
IUPAC Name7-chloro-2-(4-iodophenyl)-1-propylbenzimidazole
SMILESCCCn1c(-c2ccc(I)cc2)nc2cccc(Cl)c21
InChIInChI=1S/C16H14ClIN2/c1-2-10-20-15-13(17)4-3-5-14(15)19-16(20)11-6-8-12(18)9-7-11/h3-9H,2,10H2,1H3
InChIKeyTXMDAJXBYBBWAG-UHFFFAOYSA-N
XLogP5.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.66
LogP ≤ 55.37
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

2-(4-bromo-3-chlorophenyl)-7-chloro-1-propylbenzimidazole
CID 68720916
7-chloro-2-(5,6-dichloro-3-pyridinyl)-1-propylbenzimidazole
CID 86629817
2-amino-4-(7-chloro-1-propylbenzimidazol-2-yl)phenol
CID 136872106
5-[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]pyridin-2-amine
CID 68735523
3-(7-chloro-1-propylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
CID 60788262
(1S)-1-(7-chloro-1-propylbenzimidazol-2-yl)ethanol
CID 94958068
5-[[5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]amino]pyridine-2-carboxylic acid
CID 141221179
methyl 5-[[5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]amino]pyridine-2-carboxylate
CID 68721576
2-(7-chloro-1-propylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine
CID 79799186
2-(7-chloro-1-propylbenzimidazol-2-yl)-N-ethylpropan-1-amine
CID 62853512
7-chloro-2-(6-chloro-3-pyridinyl)-1-(2-methylpropyl)benzimidazole
CID 86629823
5-(7-chloro-1-ethylbenzimidazol-2-yl)pyridin-3-amine
CID 55166004

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(4-iodophenyl)-1-propylbenzimidazole?
The IUPAC name of 7-chloro-2-(4-iodophenyl)-1-propylbenzimidazole (CID 68721057) is 7-chloro-2-(4-iodophenyl)-1-propylbenzimidazole.
What is the SMILES notation for 7-chloro-2-(4-iodophenyl)-1-propylbenzimidazole?
The canonical SMILES for 7-chloro-2-(4-iodophenyl)-1-propylbenzimidazole is CCCn1c(-c2ccc(I)cc2)nc2cccc(Cl)c21.
What is the InChIKey of 7-chloro-2-(4-iodophenyl)-1-propylbenzimidazole?
The InChIKey is TXMDAJXBYBBWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClIN2/c1-2-10-20-15-13(17)4-3-5-14(15)19-16(20)11-6-8-12(18)9-7-11/h3-9H,2,10H2,1H3.
What are the key properties of 7-chloro-2-(4-iodophenyl)-1-propylbenzimidazole?
7-chloro-2-(4-iodophenyl)-1-propylbenzimidazole has a molecular weight of 396.66 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(4-iodophenyl)-1-propylbenzimidazole is sourced from PubChem (CID 68721057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).