3-ethyl-1-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-methylurea

C16H22N4O2 — CID 42819635

IUPAC3-ethyl-1-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-methylurea
SMILESCCNC(=O)N(C)Cc1nccn1Cc1ccc(OC)cc1
InChIInChI=1S/C16H22N4O2/c1-4-17-16(21)19(2)12-15-18-9-10-20(15)11-13-5-7-14(22-3)8-6-13/h5-10H,4,11-12H2,1-3H3,(H,17,21)
InChIKeyBAVAGVBSIHCCPU-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.10
Rot. Bonds6

About 3-ethyl-1-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-methylurea

3-ethyl-1-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-methylurea (PubChem CID 42819635) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 3-ethyl-1-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-methylurea.

Molecular Properties

Compound Name3-ethyl-1-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-methylurea
PubChem CID42819635
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name3-ethyl-1-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-methylurea
SMILESCCNC(=O)N(C)Cc1nccn1Cc1ccc(OC)cc1
InChIInChI=1S/C16H22N4O2/c1-4-17-16(21)19(2)12-15-18-9-10-20(15)11-13-5-7-14(22-3)8-6-13/h5-10H,4,11-12H2,1-3H3,(H,17,21)
InChIKeyBAVAGVBSIHCCPU-UHFFFAOYSA-N
XLogP2.10
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide
CID 42819222
1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-methylurea
CID 122564864
4-chloro-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylbenzamide
CID 42819277
N-cyclopropyl-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-3-methylbutanamide
CID 42819247
3-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 48962776
2-[2-(1-benzylimidazol-2-yl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-ethyl-1-methylguanidine
CID 111296863
N-[(1-benzylimidazol-2-yl)methyl]-2-methoxy-N,6-dimethylbenzamide
CID 131901666
[4-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82557940
methyl 4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzoate
CID 62223550
N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 42819265
3-ethyl-1-[[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methoxyethyl)urea
CID 42819710
1-[[1-[(2,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-3-ethyl-1-phenylurea
CID 42819668

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-methylurea?
The IUPAC name of 3-ethyl-1-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-methylurea (CID 42819635) is 3-ethyl-1-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-methylurea.
What is the SMILES notation for 3-ethyl-1-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-methylurea?
The canonical SMILES for 3-ethyl-1-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-methylurea is CCNC(=O)N(C)Cc1nccn1Cc1ccc(OC)cc1.
What is the InChIKey of 3-ethyl-1-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-methylurea?
The InChIKey is BAVAGVBSIHCCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-4-17-16(21)19(2)12-15-18-9-10-20(15)11-13-5-7-14(22-3)8-6-13/h5-10H,4,11-12H2,1-3H3,(H,17,21).
What are the key properties of 3-ethyl-1-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-methylurea?
3-ethyl-1-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-methylurea has a molecular weight of 302.38 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-methylurea is sourced from PubChem (CID 42819635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).