N-(4-iodophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide

C16H14IN3O — CID 7755726

IUPACN-(4-iodophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide
SMILESCc1nc2ccccc2n1CC(=O)Nc1ccc(I)cc1
InChIInChI=1S/C16H14IN3O/c1-11-18-14-4-2-3-5-15(14)20(11)10-16(21)19-13-8-6-12(17)7-9-13/h2-9H,10H2,1H3,(H,19,21)
InChIKeyOZTPWDPKZZFXTM-UHFFFAOYSA-N
MW391.21 g/mol
LogP3.59
Rot. Bonds3

About N-(4-iodophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide

N-(4-iodophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide (PubChem CID 7755726) has the molecular formula C16H14IN3O and a molecular weight of 391.21 g/mol. Its IUPAC name is N-(4-iodophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide
PubChem CID7755726
Molecular FormulaC16H14IN3O
Molecular Weight391.21 g/mol
Exact Mass391.02
IUPAC NameN-(4-iodophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide
SMILESCc1nc2ccccc2n1CC(=O)Nc1ccc(I)cc1
InChIInChI=1S/C16H14IN3O/c1-11-18-14-4-2-3-5-15(14)20(11)10-16(21)19-13-8-6-12(17)7-9-13/h2-9H,10H2,1H3,(H,19,21)
InChIKeyOZTPWDPKZZFXTM-UHFFFAOYSA-N
XLogP3.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.21
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylbenzimidazol-1-yl)-N-(4-nitrophenyl)acetamide
CID 7755868
ethyl 4-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate
CID 40540953
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-iodophenyl)acetamide
CID 18279761
N-phenyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028613
N-(5-chloro-2-pyridinyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 40688756
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
N-(4-methylphenyl)-2-[2-(2-methylphenyl)benzimidazol-1-yl]acetamide
CID 17032745
N-(2-cyanophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 40689130
methyl 2-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate
CID 18166122
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033040
N-(4-tert-butylphenyl)-2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetamide
CID 84571294
2-(2-methylbenzimidazol-1-yl)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 94103645

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-(4-iodophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide (CID 7755726) is N-(4-iodophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(4-iodophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(4-iodophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide is Cc1nc2ccccc2n1CC(=O)Nc1ccc(I)cc1.
What is the InChIKey of N-(4-iodophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide?
The InChIKey is OZTPWDPKZZFXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14IN3O/c1-11-18-14-4-2-3-5-15(14)20(11)10-16(21)19-13-8-6-12(17)7-9-13/h2-9H,10H2,1H3,(H,19,21).
What are the key properties of N-(4-iodophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide?
N-(4-iodophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide has a molecular weight of 391.21 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 7755726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).