1-[3-(2-ethylimidazol-1-yl)propyl]-3-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]urea

C18H24N4O2 — CID 125179364

IUPAC1-[3-(2-ethylimidazol-1-yl)propyl]-3-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]urea
SMILESCCc1nccn1CCCNC(=O)Nc1ccc2c(c1)C[C@H](C)O2
InChIInChI=1S/C18H24N4O2/c1-3-17-19-8-10-22(17)9-4-7-20-18(23)21-15-5-6-16-14(12-15)11-13(2)24-16/h5-6,8,10,12-13H,3-4,7,9,11H2,1-2H3,(H2,20,21,23)/t13-/m0/s1
InChIKeyYGPHBDMMMZGOCT-ZDUSSCGKSA-N
MW328.42 g/mol
LogP2.98
Rot. Bonds6

About 1-[3-(2-ethylimidazol-1-yl)propyl]-3-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]urea

1-[3-(2-ethylimidazol-1-yl)propyl]-3-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]urea (PubChem CID 125179364) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[3-(2-ethylimidazol-1-yl)propyl]-3-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]urea.

Molecular Properties

Compound Name1-[3-(2-ethylimidazol-1-yl)propyl]-3-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]urea
PubChem CID125179364
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[3-(2-ethylimidazol-1-yl)propyl]-3-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]urea
SMILESCCc1nccn1CCCNC(=O)Nc1ccc2c(c1)C[C@H](C)O2
InChIInChI=1S/C18H24N4O2/c1-3-17-19-8-10-22(17)9-4-7-20-18(23)21-15-5-6-16-14(12-15)11-13(2)24-16/h5-6,8,10,12-13H,3-4,7,9,11H2,1-2H3,(H2,20,21,23)/t13-/m0/s1
InChIKeyYGPHBDMMMZGOCT-ZDUSSCGKSA-N
XLogP2.98
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-(2-ethylimidazol-1-yl)propyl]-3-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]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

1-[3-(2-ethylimidazol-1-yl)propyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 74239820
2-chloro-4-[3-(2-ethylimidazol-1-yl)propylcarbamoylamino]benzamide
CID 118782102
1-[3-(2-ethylimidazol-1-yl)propyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea
CID 118773217
1-[3-(2-ethylimidazol-1-yl)propyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea
CID 72924769
(2S)-N-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 126426582
1-[2-(2-ethylimidazol-1-yl)ethyl]-3-(2-methyl-1,3-benzothiazol-6-yl)urea
CID 118777639
N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propanamide
CID 131924029
N-[3-(2-ethylimidazol-1-yl)propyl]furan-2-carboxamide
CID 13371088
N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pyridazine-4-carboxamide
CID 131901784
N-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-4-methylsulfonylpiperazine-1-carboxamide
CID 97445054
N,N-dimethyl-2-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbamoylamino]oxyacetamide
CID 155954661
N-[3-(2-ethylimidazol-1-yl)propyl]-2-[(3S)-oxolan-3-yl]acetamide
CID 126430718

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethylimidazol-1-yl)propyl]-3-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]urea?
The IUPAC name of 1-[3-(2-ethylimidazol-1-yl)propyl]-3-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]urea (CID 125179364) is 1-[3-(2-ethylimidazol-1-yl)propyl]-3-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]urea.
What is the SMILES notation for 1-[3-(2-ethylimidazol-1-yl)propyl]-3-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]urea?
The canonical SMILES for 1-[3-(2-ethylimidazol-1-yl)propyl]-3-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]urea is CCc1nccn1CCCNC(=O)Nc1ccc2c(c1)C[C@H](C)O2.
What is the InChIKey of 1-[3-(2-ethylimidazol-1-yl)propyl]-3-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]urea?
The InChIKey is YGPHBDMMMZGOCT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-17-19-8-10-22(17)9-4-7-20-18(23)21-15-5-6-16-14(12-15)11-13(2)24-16/h5-6,8,10,12-13H,3-4,7,9,11H2,1-2H3,(H2,20,21,23)/t13-/m0/s1.
What are the key properties of 1-[3-(2-ethylimidazol-1-yl)propyl]-3-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]urea?
1-[3-(2-ethylimidazol-1-yl)propyl]-3-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]urea has a molecular weight of 328.42 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethylimidazol-1-yl)propyl]-3-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]urea is sourced from PubChem (CID 125179364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).