N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-iodo-4,5-dimethoxybenzamide

C20H22IN3O3 — CID 60622965

IUPACN-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-iodo-4,5-dimethoxybenzamide
SMILESCCn1c(CCNC(=O)c2cc(OC)c(OC)cc2I)nc2ccccc21
InChIInChI=1S/C20H22IN3O3/c1-4-24-16-8-6-5-7-15(16)23-19(24)9-10-22-20(25)13-11-17(26-2)18(27-3)12-14(13)21/h5-8,11-12H,4,9-10H2,1-3H3,(H,22,25)
InChIKeyKGMHEDJVQWCHCY-UHFFFAOYSA-N
MW479.32 g/mol
LogP3.65
Rot. Bonds7

About N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-iodo-4,5-dimethoxybenzamide

N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-iodo-4,5-dimethoxybenzamide (PubChem CID 60622965) has the molecular formula C20H22IN3O3 and a molecular weight of 479.32 g/mol. Its IUPAC name is N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-iodo-4,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-iodo-4,5-dimethoxybenzamide
PubChem CID60622965
Molecular FormulaC20H22IN3O3
Molecular Weight479.32 g/mol
Exact Mass479.07
IUPAC NameN-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-iodo-4,5-dimethoxybenzamide
SMILESCCn1c(CCNC(=O)c2cc(OC)c(OC)cc2I)nc2ccccc21
InChIInChI=1S/C20H22IN3O3/c1-4-24-16-8-6-5-7-15(16)23-19(24)9-10-22-20(25)13-11-17(26-2)18(27-3)12-14(13)21/h5-8,11-12H,4,9-10H2,1-3H3,(H,22,25)
InChIKeyKGMHEDJVQWCHCY-UHFFFAOYSA-N
XLogP3.65
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.32
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 3237594
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide
CID 16976665
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methoxybenzamide
CID 17007568
methyl 2-[2-[2-[(2-methoxybenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 16976330
2-methoxy-N-[2-(1-octadecylbenzimidazol-2-yl)ethyl]benzamide
CID 16976201
N-[2-(1-heptylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide
CID 16976194
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 122556376
N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 16976831
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751289
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119866339
N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16975906
N-[2-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
CID 16976311

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-iodo-4,5-dimethoxybenzamide?
The IUPAC name of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-iodo-4,5-dimethoxybenzamide (CID 60622965) is N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-iodo-4,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-iodo-4,5-dimethoxybenzamide?
The canonical SMILES for N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-iodo-4,5-dimethoxybenzamide is CCn1c(CCNC(=O)c2cc(OC)c(OC)cc2I)nc2ccccc21.
What is the InChIKey of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-iodo-4,5-dimethoxybenzamide?
The InChIKey is KGMHEDJVQWCHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22IN3O3/c1-4-24-16-8-6-5-7-15(16)23-19(24)9-10-22-20(25)13-11-17(26-2)18(27-3)12-14(13)21/h5-8,11-12H,4,9-10H2,1-3H3,(H,22,25).
What are the key properties of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-iodo-4,5-dimethoxybenzamide?
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-iodo-4,5-dimethoxybenzamide has a molecular weight of 479.32 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-iodo-4,5-dimethoxybenzamide is sourced from PubChem (CID 60622965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).