1-(2,3-dihydro-1H-inden-1-yl)-3-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]urea

C22H22N4O — CID 10133042

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-3-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]urea
SMILESN/C(=N\Cc1cccc2ccccc12)NC(=O)NC1CCc2ccccc21
InChIInChI=1S/C22H22N4O/c23-21(24-14-17-9-5-8-15-6-1-3-10-18(15)17)26-22(27)25-20-13-12-16-7-2-4-11-19(16)20/h1-11,20H,12-14H2,(H4,23,24,25,26,27)
InChIKeyPMJRVBFJYKJWFH-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.64
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-1-yl)-3-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]urea

1-(2,3-dihydro-1H-inden-1-yl)-3-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]urea (PubChem CID 10133042) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-3-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-3-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]urea
PubChem CID10133042
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-3-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]urea
SMILESN/C(=N\Cc1cccc2ccccc12)NC(=O)NC1CCc2ccccc21
InChIInChI=1S/C22H22N4O/c23-21(24-14-17-9-5-8-15-6-1-3-10-18(15)17)26-22(27)25-20-13-12-16-7-2-4-11-19(16)20/h1-11,20H,12-14H2,(H4,23,24,25,26,27)
InChIKeyPMJRVBFJYKJWFH-UHFFFAOYSA-N
XLogP3.64
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-1-ylmethyl)urea
CID 57264395
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-naphthalen-1-ylacetate
CID 2625137
N-(2,3-dihydro-1H-inden-1-yl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 51273823
1-(2,3-dihydro-1H-inden-1-yl)-2-methylguanidine
CID 62378735
1-cyclobutyl-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 113233184
1-(2-bromoethyl)-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 59355774
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluoroethyl)urea
CID 24983548
2,4-diamino-5-chloro-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]benzamide
CID 11024994
2-(2,3-dihydro-1H-inden-1-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974624
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-naphthalen-1-ylacetamide
CID 97184949
1-(2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936507
(2S)-2-amino-3-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propanoic acid
CID 70945803

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]urea (CID 10133042) is 1-(2,3-dihydro-1H-inden-1-yl)-3-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-3-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-3-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]urea is N/C(=N\Cc1cccc2ccccc12)NC(=O)NC1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-3-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]urea?
The InChIKey is PMJRVBFJYKJWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c23-21(24-14-17-9-5-8-15-6-1-3-10-18(15)17)26-22(27)25-20-13-12-16-7-2-4-11-19(16)20/h1-11,20H,12-14H2,(H4,23,24,25,26,27).
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-3-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]urea?
1-(2,3-dihydro-1H-inden-1-yl)-3-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]urea has a molecular weight of 358.45 g/mol, XLogP of 3.64, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-yl)-3-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]urea is sourced from PubChem (CID 10133042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).