1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[(1R)-1-(3,4,5-trimethoxyphenyl)ethyl]urea

C17H24N4O4 — CID 126434509

IUPAC1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[(1R)-1-(3,4,5-trimethoxyphenyl)ethyl]urea
SMILESCOc1cc([C@@H](C)NC(=O)N(C)Cc2ncc[nH]2)cc(OC)c1OC
InChIInChI=1S/C17H24N4O4/c1-11(20-17(22)21(2)10-15-18-6-7-19-15)12-8-13(23-3)16(25-5)14(9-12)24-4/h6-9,11H,10H2,1-5H3,(H,18,19)(H,20,22)/t11-/m1/s1
InChIKeyKOFDZUSUUUZMTD-LLVKDONJSA-N
MW348.40 g/mol
LogP2.34
Rot. Bonds7

About 1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[(1R)-1-(3,4,5-trimethoxyphenyl)ethyl]urea

1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[(1R)-1-(3,4,5-trimethoxyphenyl)ethyl]urea (PubChem CID 126434509) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[(1R)-1-(3,4,5-trimethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[(1R)-1-(3,4,5-trimethoxyphenyl)ethyl]urea
PubChem CID126434509
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[(1R)-1-(3,4,5-trimethoxyphenyl)ethyl]urea
SMILESCOc1cc([C@@H](C)NC(=O)N(C)Cc2ncc[nH]2)cc(OC)c1OC
InChIInChI=1S/C17H24N4O4/c1-11(20-17(22)21(2)10-15-18-6-7-19-15)12-8-13(23-3)16(25-5)14(9-12)24-4/h6-9,11H,10H2,1-5H3,(H,18,19)(H,20,22)/t11-/m1/s1
InChIKeyKOFDZUSUUUZMTD-LLVKDONJSA-N
XLogP2.34
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[(1R)-1-(3,4,5-trimethoxyphenyl)ethyl]urea with MolForge

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Related Compounds

(2S,3S)-2-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]-3-methylpentanoic acid
CID 64518696
3-chloro-N-(1H-imidazol-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
CID 63928489
3-[(2R)-heptan-2-yl]-1-(1H-imidazol-2-ylmethyl)-1-methylurea
CID 122570121
(2R)-2-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107828053
N-(1H-imidazol-2-ylmethyl)-3,5-dimethoxy-N,4-dimethylbenzamide
CID 63929739
N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpropanamide
CID 63929546
1-(dicyclopropylmethyl)-1-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 49475188
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide
CID 64517492
3-bromo-N-(1H-imidazol-2-ylmethyl)-2,5-dimethoxy-N-methylbenzamide
CID 63939460
3-[1-(2,5-dimethoxyphenyl)ethyl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea
CID 122568022
3-amino-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butanamide
CID 119720284
N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methyl-4-nitrobenzamide
CID 115621030

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[(1R)-1-(3,4,5-trimethoxyphenyl)ethyl]urea?
The IUPAC name of 1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[(1R)-1-(3,4,5-trimethoxyphenyl)ethyl]urea (CID 126434509) is 1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[(1R)-1-(3,4,5-trimethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[(1R)-1-(3,4,5-trimethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[(1R)-1-(3,4,5-trimethoxyphenyl)ethyl]urea is COc1cc([C@@H](C)NC(=O)N(C)Cc2ncc[nH]2)cc(OC)c1OC.
What is the InChIKey of 1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[(1R)-1-(3,4,5-trimethoxyphenyl)ethyl]urea?
The InChIKey is KOFDZUSUUUZMTD-LLVKDONJSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-11(20-17(22)21(2)10-15-18-6-7-19-15)12-8-13(23-3)16(25-5)14(9-12)24-4/h6-9,11H,10H2,1-5H3,(H,18,19)(H,20,22)/t11-/m1/s1.
What are the key properties of 1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[(1R)-1-(3,4,5-trimethoxyphenyl)ethyl]urea?
1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[(1R)-1-(3,4,5-trimethoxyphenyl)ethyl]urea has a molecular weight of 348.40 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[(1R)-1-(3,4,5-trimethoxyphenyl)ethyl]urea is sourced from PubChem (CID 126434509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).