N-[2-(4-methoxyphenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide

C13H17N3O2 — CID 91901972

IUPACN-[2-(4-methoxyphenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESCOc1ccc(CCNC(=O)C2=NCCN2)cc1
InChIInChI=1S/C13H17N3O2/c1-18-11-4-2-10(3-5-11)6-7-16-13(17)12-14-8-9-15-12/h2-5H,6-9H2,1H3,(H,14,15)(H,16,17)
InChIKeyYFPWIRSLRXPNHQ-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.36
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide (PubChem CID 91901972) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide
PubChem CID91901972
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESCOc1ccc(CCNC(=O)C2=NCCN2)cc1
InChIInChI=1S/C13H17N3O2/c1-18-11-4-2-10(3-5-11)6-7-16-13(17)12-14-8-9-15-12/h2-5H,6-9H2,1H3,(H,14,15)(H,16,17)
InChIKeyYFPWIRSLRXPNHQ-UHFFFAOYSA-N
XLogP0.36
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-hydroxyphenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide
CID 91901970
N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 2516124
N-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole-2-carboxamide
CID 584328
4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042916
1-[2-(4-methoxyphenyl)ethyl]-3-prop-1-en-2-ylurea
CID 108910187
N-[2-(4-methoxyphenyl)ethyl]naphthalene-2-carboxamide
CID 1343397
3-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 104740841
1-N,1-N'-bis[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977727
N-[2-(4-methoxyphenyl)ethyl]-6-methylpyridazine-3-carboxamide
CID 110705227
1-(cyclopentylidenemethyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108913488
N-[2-(4-methoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100708090
2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide (CID 91901972) is N-[2-(4-methoxyphenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide is COc1ccc(CCNC(=O)C2=NCCN2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The InChIKey is YFPWIRSLRXPNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-18-11-4-2-10(3-5-11)6-7-16-13(17)12-14-8-9-15-12/h2-5H,6-9H2,1H3,(H,14,15)(H,16,17).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide is sourced from PubChem (CID 91901972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).