1-[(1-ethylimidazol-2-yl)methyl]-3-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methylurea

C14H23N7O — CID 122567766

IUPAC1-[(1-ethylimidazol-2-yl)methyl]-3-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methylurea
SMILESCCn1ccnc1CN(C)C(=O)NC(C)c1ncnn1CC
InChIInChI=1S/C14H23N7O/c1-5-20-8-7-15-12(20)9-19(4)14(22)18-11(3)13-16-10-17-21(13)6-2/h7-8,10-11H,5-6,9H2,1-4H3,(H,18,22)
InChIKeyVXOCPKPZQMLMAE-UHFFFAOYSA-N
MW305.39 g/mol
LogP1.42
Rot. Bonds6

About 1-[(1-ethylimidazol-2-yl)methyl]-3-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methylurea

1-[(1-ethylimidazol-2-yl)methyl]-3-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methylurea (PubChem CID 122567766) has the molecular formula C14H23N7O and a molecular weight of 305.39 g/mol. Its IUPAC name is 1-[(1-ethylimidazol-2-yl)methyl]-3-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methylurea.

Molecular Properties

Compound Name1-[(1-ethylimidazol-2-yl)methyl]-3-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methylurea
PubChem CID122567766
Molecular FormulaC14H23N7O
Molecular Weight305.39 g/mol
Exact Mass305.20
IUPAC Name1-[(1-ethylimidazol-2-yl)methyl]-3-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methylurea
SMILESCCn1ccnc1CN(C)C(=O)NC(C)c1ncnn1CC
InChIInChI=1S/C14H23N7O/c1-5-20-8-7-15-12(20)9-19(4)14(22)18-11(3)13-16-10-17-21(13)6-2/h7-8,10-11H,5-6,9H2,1-4H3,(H,18,22)
InChIKeyVXOCPKPZQMLMAE-UHFFFAOYSA-N
XLogP1.42
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(1-ethylimidazol-2-yl)methyl]-3-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methylurea with MolForge

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Related Compounds

1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea
CID 125435125
3-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methyl-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]urea
CID 125442424
4-[[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]amino]-4-oxobutanoic acid
CID 125437669
3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea
CID 125438329
4-chloro-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 126448965
4-chloro-N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 126448966
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(3-hydroxyphenyl)acetamide
CID 91770168
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(1-phenylethyl)urea
CID 86998907
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 87003618
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
CID 70759937
1-(1-ethyltriazol-4-yl)-3-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea
CID 97454722
2-[(1-ethylimidazol-2-yl)methyl-(2-methylpropyl)amino]acetic acid
CID 55148594

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-3-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methylurea?
The IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-3-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methylurea (CID 122567766) is 1-[(1-ethylimidazol-2-yl)methyl]-3-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methylurea.
What is the SMILES notation for 1-[(1-ethylimidazol-2-yl)methyl]-3-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methylurea?
The canonical SMILES for 1-[(1-ethylimidazol-2-yl)methyl]-3-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methylurea is CCn1ccnc1CN(C)C(=O)NC(C)c1ncnn1CC.
What is the InChIKey of 1-[(1-ethylimidazol-2-yl)methyl]-3-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methylurea?
The InChIKey is VXOCPKPZQMLMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7O/c1-5-20-8-7-15-12(20)9-19(4)14(22)18-11(3)13-16-10-17-21(13)6-2/h7-8,10-11H,5-6,9H2,1-4H3,(H,18,22).
What are the key properties of 1-[(1-ethylimidazol-2-yl)methyl]-3-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methylurea?
1-[(1-ethylimidazol-2-yl)methyl]-3-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methylurea has a molecular weight of 305.39 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylimidazol-2-yl)methyl]-3-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methylurea is sourced from PubChem (CID 122567766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).