[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]urea

C21H18N4O — CID 126388460

IUPAC[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]urea
SMILESNC(=O)N/N=C\c1cn(Cc2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C21H18N4O/c22-21(26)24-23-12-17-14-25(20-11-4-3-10-19(17)20)13-16-8-5-7-15-6-1-2-9-18(15)16/h1-12,14H,13H2,(H3,22,24,26)/b23-12-
InChIKeyNNRBZAPGNMWBJT-FMCGGJTJSA-N
MW342.40 g/mol
LogP3.85
Rot. Bonds4

About [(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]urea

[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]urea (PubChem CID 126388460) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is [(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]urea
PubChem CID126388460
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]urea
SMILESNC(=O)N/N=C\c1cn(Cc2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C21H18N4O/c22-21(26)24-23-12-17-14-25(20-11-4-3-10-19(17)20)13-16-8-5-7-15-6-1-2-9-18(15)16/h1-12,14H,13H2,(H3,22,24,26)/b23-12-
InChIKeyNNRBZAPGNMWBJT-FMCGGJTJSA-N
XLogP3.85
TPSA72.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]urea
CID 3801394
[[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]urea
CID 3906318
2-methyl-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide
CID 19060960
[(Z)-(1-ethylindol-3-yl)methylideneamino]urea
CID 71670103
[(Z)-[1-[(4-iodophenyl)methyl]indol-3-yl]methylideneamino]urea
CID 6045592
2-(4-chlorophenyl)sulfanyl-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]acetamide
CID 126220780
[[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]methylideneamino]urea
CID 150950229
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]acetamide
CID 126367952
2,4-dimethoxy-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide
CID 6187592
[(Z)-(1-methylindol-3-yl)methylideneamino]urea
CID 5407269
methyl N-[(E)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]carbamate
CID 6864443
5-bromo-7-iodo-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide
CID 126022240

Frequently Asked Questions

What is the IUPAC name of [(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]urea?
The IUPAC name of [(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]urea (CID 126388460) is [(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]urea.
What is the SMILES notation for [(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]urea?
The canonical SMILES for [(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]urea is NC(=O)N/N=C\c1cn(Cc2cccc3ccccc23)c2ccccc12.
What is the InChIKey of [(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]urea?
The InChIKey is NNRBZAPGNMWBJT-FMCGGJTJSA-N. The full InChI is InChI=1S/C21H18N4O/c22-21(26)24-23-12-17-14-25(20-11-4-3-10-19(17)20)13-16-8-5-7-15-6-1-2-9-18(15)16/h1-12,14H,13H2,(H3,22,24,26)/b23-12-.
What are the key properties of [(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]urea?
[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]urea has a molecular weight of 342.40 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]urea is sourced from PubChem (CID 126388460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).