1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[(4-imidazol-1-ylphenyl)methyl]urea

C21H22N4O — CID 126771139

IUPAC1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[(4-imidazol-1-ylphenyl)methyl]urea
SMILESO=C(NCc1ccc(-n2ccnc2)cc1)NCC1CCc2ccccc21
InChIInChI=1S/C21H22N4O/c26-21(24-14-18-8-7-17-3-1-2-4-20(17)18)23-13-16-5-9-19(10-6-16)25-12-11-22-15-25/h1-6,9-12,15,18H,7-8,13-14H2,(H2,23,24,26)
InChIKeyIGGYFCLLKDVTBR-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.40
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[(4-imidazol-1-ylphenyl)methyl]urea

1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[(4-imidazol-1-ylphenyl)methyl]urea (PubChem CID 126771139) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[(4-imidazol-1-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[(4-imidazol-1-ylphenyl)methyl]urea
PubChem CID126771139
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[(4-imidazol-1-ylphenyl)methyl]urea
SMILESO=C(NCc1ccc(-n2ccnc2)cc1)NCC1CCc2ccccc21
InChIInChI=1S/C21H22N4O/c26-21(24-14-18-8-7-17-3-1-2-4-20(17)18)23-13-16-5-9-19(10-6-16)25-12-11-22-15-25/h1-6,9-12,15,18H,7-8,13-14H2,(H2,23,24,26)
InChIKeyIGGYFCLLKDVTBR-UHFFFAOYSA-N
XLogP3.40
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[(4-imidazol-1-ylphenyl)methyl]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-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(4-imidazol-1-ylphenyl)methyl]urea
CID 111618688
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]acetamide
CID 42519834
1-[(4-imidazol-1-ylphenyl)methyl]-3-[[3-(phenylmethoxymethyl)phenyl]methyl]urea
CID 154857737
3-[(4-imidazol-1-ylphenyl)methylcarbamoylamino]-N-propylpropanamide
CID 86850589
N-[(4-imidazol-1-ylphenyl)methyl]-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
CID 167837508
2-(2-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 50847572
1-[(4-imidazol-1-ylphenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 86850595
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-imidazol-1-ylethyl)acetamide
CID 95125863
1-[(2-imidazol-1-ylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 60580591
1-(benzenesulfonyl)-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 100645070
N-[(4-imidazol-1-ylphenyl)methyl]-2-pyridin-3-ylacetamide
CID 53159084
N-[(4-imidazol-1-ylphenyl)methyl]pyridine-3-carboxamide
CID 53159079

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[(4-imidazol-1-ylphenyl)methyl]urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[(4-imidazol-1-ylphenyl)methyl]urea (CID 126771139) is 1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[(4-imidazol-1-ylphenyl)methyl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[(4-imidazol-1-ylphenyl)methyl]urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[(4-imidazol-1-ylphenyl)methyl]urea is O=C(NCc1ccc(-n2ccnc2)cc1)NCC1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[(4-imidazol-1-ylphenyl)methyl]urea?
The InChIKey is IGGYFCLLKDVTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c26-21(24-14-18-8-7-17-3-1-2-4-20(17)18)23-13-16-5-9-19(10-6-16)25-12-11-22-15-25/h1-6,9-12,15,18H,7-8,13-14H2,(H2,23,24,26).
What are the key properties of 1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[(4-imidazol-1-ylphenyl)methyl]urea?
1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[(4-imidazol-1-ylphenyl)methyl]urea has a molecular weight of 346.43 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[(4-imidazol-1-ylphenyl)methyl]urea is sourced from PubChem (CID 126771139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).