1-ethyl-1-[8-(1H-imidazol-5-ylmethyl)naphthalen-2-yl]-3-methylurea

C18H20N4O — CID 25159019

IUPAC1-ethyl-1-[8-(1H-imidazol-5-ylmethyl)naphthalen-2-yl]-3-methylurea
SMILESCCN(C(=O)NC)c1ccc2cccc(Cc3cnc[nH]3)c2c1
InChIInChI=1S/C18H20N4O/c1-3-22(18(23)19-2)16-8-7-13-5-4-6-14(17(13)10-16)9-15-11-20-12-21-15/h4-8,10-12H,3,9H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyVUYMNUSIDDZQRR-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.32
Rot. Bonds4

About 1-ethyl-1-[8-(1H-imidazol-5-ylmethyl)naphthalen-2-yl]-3-methylurea

1-ethyl-1-[8-(1H-imidazol-5-ylmethyl)naphthalen-2-yl]-3-methylurea (PubChem CID 25159019) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 1-ethyl-1-[8-(1H-imidazol-5-ylmethyl)naphthalen-2-yl]-3-methylurea.

Molecular Properties

Compound Name1-ethyl-1-[8-(1H-imidazol-5-ylmethyl)naphthalen-2-yl]-3-methylurea
PubChem CID25159019
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name1-ethyl-1-[8-(1H-imidazol-5-ylmethyl)naphthalen-2-yl]-3-methylurea
SMILESCCN(C(=O)NC)c1ccc2cccc(Cc3cnc[nH]3)c2c1
InChIInChI=1S/C18H20N4O/c1-3-22(18(23)19-2)16-8-7-13-5-4-6-14(17(13)10-16)9-15-11-20-12-21-15/h4-8,10-12H,3,9H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyVUYMNUSIDDZQRR-UHFFFAOYSA-N
XLogP3.32
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-1-[8-(1H-imidazol-5-ylmethyl)naphthalen-2-yl]-3-methylurea 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

2-methoxyethyl N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]carbamate
CID 25158772
N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]methanesulfonamide
CID 59364168
N-ethyl-3-fluoro-N-[3-[1H-imidazol-5-ylmethyl(methyl)amino]phenyl]benzamide
CID 167484775
N-(2,6-diethylphenyl)-2-(1H-imidazol-5-yl)acetamide
CID 110684155
5-[(2,3-dimethylphenyl)methyl]-(213C,1,3-15N2)1H-imidazole;hydrochloride
CID 71315842
N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]formamide
CID 143737745
4-(1H-imidazol-5-ylmethyl)-N'-methyl-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)pentanediamide
CID 67724159
5-[(2-chloro-6-ethylphenyl)methyl]-1H-imidazole
CID 24738219
1,1-diethyl-3-(1H-imidazol-5-ylmethyl)urea
CID 79161079
2,6-diethyl-N-(1H-imidazol-5-ylmethyl)aniline
CID 13178302
N-[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanamide
CID 19593545
methyl N-ethyl-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamate
CID 59468790

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[8-(1H-imidazol-5-ylmethyl)naphthalen-2-yl]-3-methylurea?
The IUPAC name of 1-ethyl-1-[8-(1H-imidazol-5-ylmethyl)naphthalen-2-yl]-3-methylurea (CID 25159019) is 1-ethyl-1-[8-(1H-imidazol-5-ylmethyl)naphthalen-2-yl]-3-methylurea.
What is the SMILES notation for 1-ethyl-1-[8-(1H-imidazol-5-ylmethyl)naphthalen-2-yl]-3-methylurea?
The canonical SMILES for 1-ethyl-1-[8-(1H-imidazol-5-ylmethyl)naphthalen-2-yl]-3-methylurea is CCN(C(=O)NC)c1ccc2cccc(Cc3cnc[nH]3)c2c1.
What is the InChIKey of 1-ethyl-1-[8-(1H-imidazol-5-ylmethyl)naphthalen-2-yl]-3-methylurea?
The InChIKey is VUYMNUSIDDZQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-3-22(18(23)19-2)16-8-7-13-5-4-6-14(17(13)10-16)9-15-11-20-12-21-15/h4-8,10-12H,3,9H2,1-2H3,(H,19,23)(H,20,21).
What are the key properties of 1-ethyl-1-[8-(1H-imidazol-5-ylmethyl)naphthalen-2-yl]-3-methylurea?
1-ethyl-1-[8-(1H-imidazol-5-ylmethyl)naphthalen-2-yl]-3-methylurea has a molecular weight of 308.39 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[8-(1H-imidazol-5-ylmethyl)naphthalen-2-yl]-3-methylurea is sourced from PubChem (CID 25159019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).