1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-[1-(5-methyl-1H-imidazol-2-yl)ethyl]urea

C14H20N4O2 — CID 122558868

IUPAC1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-[1-(5-methyl-1H-imidazol-2-yl)ethyl]urea
SMILESCc1cnc(C(C)NC(=O)N(C)Cc2ccc(C)o2)[nH]1
InChIInChI=1S/C14H20N4O2/c1-9-7-15-13(16-9)11(3)17-14(19)18(4)8-12-6-5-10(2)20-12/h5-7,11H,8H2,1-4H3,(H,15,16)(H,17,19)
InChIKeyZOUHHCCLDVINOS-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.52
Rot. Bonds4

About 1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-[1-(5-methyl-1H-imidazol-2-yl)ethyl]urea

1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-[1-(5-methyl-1H-imidazol-2-yl)ethyl]urea (PubChem CID 122558868) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-[1-(5-methyl-1H-imidazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-[1-(5-methyl-1H-imidazol-2-yl)ethyl]urea
PubChem CID122558868
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-[1-(5-methyl-1H-imidazol-2-yl)ethyl]urea
SMILESCc1cnc(C(C)NC(=O)N(C)Cc2ccc(C)o2)[nH]1
InChIInChI=1S/C14H20N4O2/c1-9-7-15-13(16-9)11(3)17-14(19)18(4)8-12-6-5-10(2)20-12/h5-7,11H,8H2,1-4H3,(H,15,16)(H,17,19)
InChIKeyZOUHHCCLDVINOS-UHFFFAOYSA-N
XLogP2.52
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-[1-(5-methyl-1H-imidazol-2-yl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid
CID 78967844
3-amino-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 115192836
(2S)-5-amino-2-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid
CID 61197904
3-[1-(2,5-dimethoxyphenyl)ethyl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea
CID 122568022
(2S)-2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 61146960
3-(3,3-dimethyl-1-pyridin-3-ylbutyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 122568421
2-(4-ethoxyphenyl)-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide
CID 91792347
methyl-[(5-methylfuran-2-yl)methyl]carbamothioic S-acid
CID 115170193
1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 115605710
5-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 62014792
3-amino-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride
CID 120504472
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 60852335

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-[1-(5-methyl-1H-imidazol-2-yl)ethyl]urea?
The IUPAC name of 1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-[1-(5-methyl-1H-imidazol-2-yl)ethyl]urea (CID 122558868) is 1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-[1-(5-methyl-1H-imidazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-[1-(5-methyl-1H-imidazol-2-yl)ethyl]urea?
The canonical SMILES for 1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-[1-(5-methyl-1H-imidazol-2-yl)ethyl]urea is Cc1cnc(C(C)NC(=O)N(C)Cc2ccc(C)o2)[nH]1.
What is the InChIKey of 1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-[1-(5-methyl-1H-imidazol-2-yl)ethyl]urea?
The InChIKey is ZOUHHCCLDVINOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-9-7-15-13(16-9)11(3)17-14(19)18(4)8-12-6-5-10(2)20-12/h5-7,11H,8H2,1-4H3,(H,15,16)(H,17,19).
What are the key properties of 1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-[1-(5-methyl-1H-imidazol-2-yl)ethyl]urea?
1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-[1-(5-methyl-1H-imidazol-2-yl)ethyl]urea has a molecular weight of 276.34 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-[1-(5-methyl-1H-imidazol-2-yl)ethyl]urea is sourced from PubChem (CID 122558868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).