4-cyclopropyl-2-methoxy-N-(2-phenylethyl)imidazole-1-carboxamide

C16H19N3O2 — CID 156708302

IUPAC4-cyclopropyl-2-methoxy-N-(2-phenylethyl)imidazole-1-carboxamide
SMILESCOc1nc(C2CC2)cn1C(=O)NCCc1ccccc1
InChIInChI=1S/C16H19N3O2/c1-21-16-18-14(13-7-8-13)11-19(16)15(20)17-10-9-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,17,20)
InChIKeyDQHRURFSKKCDQV-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.57
Rot. Bonds5

About 4-cyclopropyl-2-methoxy-N-(2-phenylethyl)imidazole-1-carboxamide

4-cyclopropyl-2-methoxy-N-(2-phenylethyl)imidazole-1-carboxamide (PubChem CID 156708302) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-cyclopropyl-2-methoxy-N-(2-phenylethyl)imidazole-1-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-2-methoxy-N-(2-phenylethyl)imidazole-1-carboxamide
PubChem CID156708302
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-cyclopropyl-2-methoxy-N-(2-phenylethyl)imidazole-1-carboxamide
SMILESCOc1nc(C2CC2)cn1C(=O)NCCc1ccccc1
InChIInChI=1S/C16H19N3O2/c1-21-16-18-14(13-7-8-13)11-19(16)15(20)17-10-9-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,17,20)
InChIKeyDQHRURFSKKCDQV-UHFFFAOYSA-N
XLogP2.57
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 35961140
methyl 3-oxo-3-(2-phenylethylamino)propanoate
CID 15006667
1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-(2-phenylethyl)urea
CID 122278182
2-methoxy-4-(1-methylpiperidin-4-yl)-N-(4-phenylbutyl)benzimidazole-1-carboxamide
CID 175826583
4-benzamido-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 127163757
(2R)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 95057957
2-cyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]quinoline-4-carboxamide
CID 51083364
3-(4-cyclopropyltriazol-1-yl)-N-(3-phenylpropyl)azetidine-1-carboxamide
CID 121190256
5-methyl-N-(2-phenylethyl)-4,5-dihydro-1H-imidazole-2-carboxamide
CID 91902231
5-methyl-N-(2-phenylethyl)imidazo[4,5-b]pyridine-1-carboxamide
CID 167680894
N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylpiperidine-1-carboxamide
CID 108901943
5-(2-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
CID 162663658

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-methoxy-N-(2-phenylethyl)imidazole-1-carboxamide?
The IUPAC name of 4-cyclopropyl-2-methoxy-N-(2-phenylethyl)imidazole-1-carboxamide (CID 156708302) is 4-cyclopropyl-2-methoxy-N-(2-phenylethyl)imidazole-1-carboxamide.
What is the SMILES notation for 4-cyclopropyl-2-methoxy-N-(2-phenylethyl)imidazole-1-carboxamide?
The canonical SMILES for 4-cyclopropyl-2-methoxy-N-(2-phenylethyl)imidazole-1-carboxamide is COc1nc(C2CC2)cn1C(=O)NCCc1ccccc1.
What is the InChIKey of 4-cyclopropyl-2-methoxy-N-(2-phenylethyl)imidazole-1-carboxamide?
The InChIKey is DQHRURFSKKCDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-21-16-18-14(13-7-8-13)11-19(16)15(20)17-10-9-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,17,20).
What are the key properties of 4-cyclopropyl-2-methoxy-N-(2-phenylethyl)imidazole-1-carboxamide?
4-cyclopropyl-2-methoxy-N-(2-phenylethyl)imidazole-1-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-methoxy-N-(2-phenylethyl)imidazole-1-carboxamide is sourced from PubChem (CID 156708302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).