1-ethyl-1-methyl-3-[4-(2-methylimidazol-1-yl)butyl]urea

C12H22N4O — CID 71868078

IUPAC1-ethyl-1-methyl-3-[4-(2-methylimidazol-1-yl)butyl]urea
SMILESCCN(C)C(=O)NCCCCn1ccnc1C
InChIInChI=1S/C12H22N4O/c1-4-15(3)12(17)14-7-5-6-9-16-10-8-13-11(16)2/h8,10H,4-7,9H2,1-3H3,(H,14,17)
InChIKeyRXBWRAUYKHPXAV-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.63
Rot. Bonds6

About 1-ethyl-1-methyl-3-[4-(2-methylimidazol-1-yl)butyl]urea

1-ethyl-1-methyl-3-[4-(2-methylimidazol-1-yl)butyl]urea (PubChem CID 71868078) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-ethyl-1-methyl-3-[4-(2-methylimidazol-1-yl)butyl]urea.

Molecular Properties

Compound Name1-ethyl-1-methyl-3-[4-(2-methylimidazol-1-yl)butyl]urea
PubChem CID71868078
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-ethyl-1-methyl-3-[4-(2-methylimidazol-1-yl)butyl]urea
SMILESCCN(C)C(=O)NCCCCn1ccnc1C
InChIInChI=1S/C12H22N4O/c1-4-15(3)12(17)14-7-5-6-9-16-10-8-13-11(16)2/h8,10H,4-7,9H2,1-3H3,(H,14,17)
InChIKeyRXBWRAUYKHPXAV-UHFFFAOYSA-N
XLogP1.63
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-benzofuran-2-ylmethyl)-1-methyl-3-[3-(2-methylimidazol-1-yl)propyl]urea
CID 71865739
N-ethyl-7-(2-methylimidazol-1-yl)heptanamide
CID 54522614
1-amino-N-[4-(2-methylimidazol-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119892474
1-butyl-2-methylimidazole;methyl hydrogen carbonate
CID 175255728
4-(2-methylimidazol-1-yl)butane-1-sulfonic acid
CID 71342023
N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine
CID 61492853
1-methyl-3-[2-(2-methylimidazol-1-yl)ethyl]-1-[[(2S)-oxan-2-yl]methyl]urea
CID 125145804
1-[(1-hydroxycycloheptyl)methyl]-3-[4-(2-methylimidazol-1-yl)butyl]urea
CID 111507214
2-methyl-1-octylimidazole;hydrate
CID 174602652
bis(1-decyl-2-methylimidazole);dihydrochloride
CID 173324377
5-amino-2-methyl-N-[4-(2-methylimidazol-1-yl)butyl]benzamide;dihydrochloride
CID 120647272
1-(2-methoxyethyl)-2-methyl-3-[4-(2-methylimidazol-1-yl)butyl]guanidine
CID 111770568

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methyl-3-[4-(2-methylimidazol-1-yl)butyl]urea?
The IUPAC name of 1-ethyl-1-methyl-3-[4-(2-methylimidazol-1-yl)butyl]urea (CID 71868078) is 1-ethyl-1-methyl-3-[4-(2-methylimidazol-1-yl)butyl]urea.
What is the SMILES notation for 1-ethyl-1-methyl-3-[4-(2-methylimidazol-1-yl)butyl]urea?
The canonical SMILES for 1-ethyl-1-methyl-3-[4-(2-methylimidazol-1-yl)butyl]urea is CCN(C)C(=O)NCCCCn1ccnc1C.
What is the InChIKey of 1-ethyl-1-methyl-3-[4-(2-methylimidazol-1-yl)butyl]urea?
The InChIKey is RXBWRAUYKHPXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-15(3)12(17)14-7-5-6-9-16-10-8-13-11(16)2/h8,10H,4-7,9H2,1-3H3,(H,14,17).
What are the key properties of 1-ethyl-1-methyl-3-[4-(2-methylimidazol-1-yl)butyl]urea?
1-ethyl-1-methyl-3-[4-(2-methylimidazol-1-yl)butyl]urea has a molecular weight of 238.33 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-3-[4-(2-methylimidazol-1-yl)butyl]urea is sourced from PubChem (CID 71868078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).