N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide

C17H17N3O3 — CID 110692315

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C17H17N3O3/c1-23-13-5-2-11(3-6-13)8-9-18-16(21)12-4-7-14-15(10-12)20-17(22)19-14/h2-7,10H,8-9H2,1H3,(H,18,21)(H2,19,20,22)
InChIKeyOZDSLHCFLOZTSF-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.84
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide (PubChem CID 110692315) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
PubChem CID110692315
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C17H17N3O3/c1-23-13-5-2-11(3-6-13)8-9-18-16(21)12-4-7-14-15(10-12)20-17(22)19-14/h2-7,10H,8-9H2,1H3,(H,18,21)(H2,19,20,22)
InChIKeyOZDSLHCFLOZTSF-UHFFFAOYSA-N
XLogP1.84
TPSA86.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 24687539
N-[2-(4-methoxyphenyl)ethyl]naphthalene-2-carboxamide
CID 1343397
N-[2-(4-methoxyphenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 27548310
4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
CID 110791167
4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042916
1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109051097
N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide
CID 117087730
N-[2-(4-methoxyphenyl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763772
3-amino-4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 61092321
3-formyl-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 141386769
3-cyano-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
CID 110791169
3-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055517

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide (CID 110692315) is N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide is COc1ccc(CCNC(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The InChIKey is OZDSLHCFLOZTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-23-13-5-2-11(3-6-13)8-9-18-16(21)12-4-7-14-15(10-12)20-17(22)19-14/h2-7,10H,8-9H2,1H3,(H,18,21)(H2,19,20,22).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide is sourced from PubChem (CID 110692315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).