1-ethyl-1-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-3-propylurea

C18H26N4O — CID 24712336

IUPAC1-ethyl-1-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-3-propylurea
SMILESCCCNC(=O)N(CC)Cc1nccn1Cc1ccccc1C
InChIInChI=1S/C18H26N4O/c1-4-10-20-18(23)21(5-2)14-17-19-11-12-22(17)13-16-9-7-6-8-15(16)3/h6-9,11-12H,4-5,10,13-14H2,1-3H3,(H,20,23)
InChIKeyGNOVGVXDCIKMDN-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.18
Rot. Bonds7

About 1-ethyl-1-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-3-propylurea

1-ethyl-1-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-3-propylurea (PubChem CID 24712336) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-ethyl-1-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-3-propylurea.

Molecular Properties

Compound Name1-ethyl-1-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-3-propylurea
PubChem CID24712336
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name1-ethyl-1-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-3-propylurea
SMILESCCCNC(=O)N(CC)Cc1nccn1Cc1ccccc1C
InChIInChI=1S/C18H26N4O/c1-4-10-20-18(23)21(5-2)14-17-19-11-12-22(17)13-16-9-7-6-8-15(16)3/h6-9,11-12H,4-5,10,13-14H2,1-3H3,(H,20,23)
InChIKeyGNOVGVXDCIKMDN-UHFFFAOYSA-N
XLogP3.18
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]propanamide
CID 42819438
N-ethyl-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropanamide
CID 42819212
3-ethyl-1-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea
CID 42819600
N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 42819456
1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-methylphenyl)methyl]urea
CID 71869773
N-(2-methoxyethyl)-3-methyl-N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]butanamide
CID 42819437
N-(2-methoxyethyl)-N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide
CID 42819440
1-benzyl-3-butyl-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 3963263
N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 42819426
1-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-3-ethyl-1-(2-morpholin-4-ylethyl)urea
CID 42819641
N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide
CID 42819430
2-[ethyl-[(2-methylphenyl)methylcarbamoyl]amino]acetic acid
CID 61205004

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-3-propylurea?
The IUPAC name of 1-ethyl-1-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-3-propylurea (CID 24712336) is 1-ethyl-1-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-3-propylurea.
What is the SMILES notation for 1-ethyl-1-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-3-propylurea?
The canonical SMILES for 1-ethyl-1-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-3-propylurea is CCCNC(=O)N(CC)Cc1nccn1Cc1ccccc1C.
What is the InChIKey of 1-ethyl-1-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-3-propylurea?
The InChIKey is GNOVGVXDCIKMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-4-10-20-18(23)21(5-2)14-17-19-11-12-22(17)13-16-9-7-6-8-15(16)3/h6-9,11-12H,4-5,10,13-14H2,1-3H3,(H,20,23).
What are the key properties of 1-ethyl-1-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-3-propylurea?
1-ethyl-1-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-3-propylurea has a molecular weight of 314.43 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-3-propylurea is sourced from PubChem (CID 24712336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).