1-iodo-N-methyl-N-propylbenzimidazole-5-carboxamide

C12H14IN3O — CID 142236683

IUPAC1-iodo-N-methyl-N-propylbenzimidazole-5-carboxamide
SMILESCCCN(C)C(=O)c1ccc2c(c1)ncn2I
InChIInChI=1S/C12H14IN3O/c1-3-6-15(2)12(17)9-4-5-11-10(7-9)14-8-16(11)13/h4-5,7-8H,3,6H2,1-2H3
InChIKeyKPIQYHFHUCMRSS-UHFFFAOYSA-N
MW343.17 g/mol
LogP2.72
Rot. Bonds3

About 1-iodo-N-methyl-N-propylbenzimidazole-5-carboxamide

1-iodo-N-methyl-N-propylbenzimidazole-5-carboxamide (PubChem CID 142236683) has the molecular formula C12H14IN3O and a molecular weight of 343.17 g/mol. Its IUPAC name is 1-iodo-N-methyl-N-propylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-iodo-N-methyl-N-propylbenzimidazole-5-carboxamide
PubChem CID142236683
Molecular FormulaC12H14IN3O
Molecular Weight343.17 g/mol
Exact Mass343.02
IUPAC Name1-iodo-N-methyl-N-propylbenzimidazole-5-carboxamide
SMILESCCCN(C)C(=O)c1ccc2c(c1)ncn2I
InChIInChI=1S/C12H14IN3O/c1-3-6-15(2)12(17)9-4-5-11-10(7-9)14-8-16(11)13/h4-5,7-8H,3,6H2,1-2H3
InChIKeyKPIQYHFHUCMRSS-UHFFFAOYSA-N
XLogP2.72
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.17
LogP ≤ 52.72
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 1-iodo-N-methyl-N-propylbenzimidazole-5-carboxamide?
The IUPAC name of 1-iodo-N-methyl-N-propylbenzimidazole-5-carboxamide (CID 142236683) is 1-iodo-N-methyl-N-propylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-iodo-N-methyl-N-propylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-iodo-N-methyl-N-propylbenzimidazole-5-carboxamide is CCCN(C)C(=O)c1ccc2c(c1)ncn2I.
What is the InChIKey of 1-iodo-N-methyl-N-propylbenzimidazole-5-carboxamide?
The InChIKey is KPIQYHFHUCMRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14IN3O/c1-3-6-15(2)12(17)9-4-5-11-10(7-9)14-8-16(11)13/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of 1-iodo-N-methyl-N-propylbenzimidazole-5-carboxamide?
1-iodo-N-methyl-N-propylbenzimidazole-5-carboxamide has a molecular weight of 343.17 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-N-methyl-N-propylbenzimidazole-5-carboxamide is sourced from PubChem (CID 142236683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).