1-ethyl-1-[(1-methylimidazol-2-yl)methyl]-3-(2-pyrrol-1-ylethyl)urea;formic acid

C15H23N5O3 — CID 154909219

IUPAC1-ethyl-1-[(1-methylimidazol-2-yl)methyl]-3-(2-pyrrol-1-ylethyl)urea;formic acid
SMILESCCN(Cc1nccn1C)C(=O)NCCn1cccc1.O=CO
InChIInChI=1S/C14H21N5O.CH2O2/c1-3-19(12-13-15-6-10-17(13)2)14(20)16-7-11-18-8-4-5-9-18;2-1-3/h4-6,8-10H,3,7,11-12H2,1-2H3,(H,16,20);1H,(H,2,3)
InChIKeyLTVJRJYRIWVQRU-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.15
Rot. Bonds6

About 1-ethyl-1-[(1-methylimidazol-2-yl)methyl]-3-(2-pyrrol-1-ylethyl)urea;formic acid

1-ethyl-1-[(1-methylimidazol-2-yl)methyl]-3-(2-pyrrol-1-ylethyl)urea;formic acid (PubChem CID 154909219) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-ethyl-1-[(1-methylimidazol-2-yl)methyl]-3-(2-pyrrol-1-ylethyl)urea;formic acid.

Molecular Properties

Compound Name1-ethyl-1-[(1-methylimidazol-2-yl)methyl]-3-(2-pyrrol-1-ylethyl)urea;formic acid
PubChem CID154909219
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name1-ethyl-1-[(1-methylimidazol-2-yl)methyl]-3-(2-pyrrol-1-ylethyl)urea;formic acid
SMILESCCN(Cc1nccn1C)C(=O)NCCn1cccc1.O=CO
InChIInChI=1S/C14H21N5O.CH2O2/c1-3-19(12-13-15-6-10-17(13)2)14(20)16-7-11-18-8-4-5-9-18;2-1-3/h4-6,8-10H,3,7,11-12H2,1-2H3,(H,16,20);1H,(H,2,3)
InChIKeyLTVJRJYRIWVQRU-UHFFFAOYSA-N
XLogP1.15
TPSA92.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 62854114
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CID 62351352
1-ethyl-3-[1-(4-fluorophenyl)ethyl]-1-[(1-methylimidazol-2-yl)methyl]urea
CID 119061413
3-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-1-ethyl-1-[(1-methylimidazol-2-yl)methyl]urea
CID 126434909
1-ethyl-3-(4-fluoro-3-methylphenyl)-1-[(1-methylimidazol-2-yl)methyl]urea
CID 118766238
1-ethyl-1-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-3-propylurea
CID 24712336
3-[(1-ethylcyclobutyl)methyl]-1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]urea
CID 122569518
1-(2-hydroxyethyl)-3-[(2R)-2-(N-methylanilino)propyl]-1-[(1-methylimidazol-2-yl)methyl]urea
CID 125436502
2-[ethyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]thieno[2,3-b]thiophene-5-carboxylic acid
CID 146145510
1-[2-(diethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496589
3-[ethyl-[(1-methylimidazol-2-yl)methyl]amino]-2-methylpropanoic acid
CID 62852079
2-(benzotriazol-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[(1-methylimidazol-2-yl)methyl]-3-(2-pyrrol-1-ylethyl)urea;formic acid?
The IUPAC name of 1-ethyl-1-[(1-methylimidazol-2-yl)methyl]-3-(2-pyrrol-1-ylethyl)urea;formic acid (CID 154909219) is 1-ethyl-1-[(1-methylimidazol-2-yl)methyl]-3-(2-pyrrol-1-ylethyl)urea;formic acid.
What is the SMILES notation for 1-ethyl-1-[(1-methylimidazol-2-yl)methyl]-3-(2-pyrrol-1-ylethyl)urea;formic acid?
The canonical SMILES for 1-ethyl-1-[(1-methylimidazol-2-yl)methyl]-3-(2-pyrrol-1-ylethyl)urea;formic acid is CCN(Cc1nccn1C)C(=O)NCCn1cccc1.O=CO.
What is the InChIKey of 1-ethyl-1-[(1-methylimidazol-2-yl)methyl]-3-(2-pyrrol-1-ylethyl)urea;formic acid?
The InChIKey is LTVJRJYRIWVQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O.CH2O2/c1-3-19(12-13-15-6-10-17(13)2)14(20)16-7-11-18-8-4-5-9-18;2-1-3/h4-6,8-10H,3,7,11-12H2,1-2H3,(H,16,20);1H,(H,2,3).
What are the key properties of 1-ethyl-1-[(1-methylimidazol-2-yl)methyl]-3-(2-pyrrol-1-ylethyl)urea;formic acid?
1-ethyl-1-[(1-methylimidazol-2-yl)methyl]-3-(2-pyrrol-1-ylethyl)urea;formic acid has a molecular weight of 321.38 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[(1-methylimidazol-2-yl)methyl]-3-(2-pyrrol-1-ylethyl)urea;formic acid is sourced from PubChem (CID 154909219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).