1-(2-cyanophenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea

C21H20N4O — CID 8990549

IUPAC1-(2-cyanophenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea
SMILESN#Cc1ccccc1NC(=O)NCc1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C21H20N4O/c22-12-15-5-1-3-7-18(15)25-21(26)23-13-14-9-10-20-17(11-14)16-6-2-4-8-19(16)24-20/h1,3,5,7,9-11,24H,2,4,6,8,13H2,(H2,23,25,26)
InChIKeyLKPRXQIBBRUDTB-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.24
Rot. Bonds3

About 1-(2-cyanophenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea

1-(2-cyanophenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea (PubChem CID 8990549) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-cyanophenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea
PubChem CID8990549
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name1-(2-cyanophenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea
SMILESN#Cc1ccccc1NC(=O)NCc1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C21H20N4O/c22-12-15-5-1-3-7-18(15)25-21(26)23-13-14-9-10-20-17(11-14)16-6-2-4-8-19(16)24-20/h1,3,5,7,9-11,24H,2,4,6,8,13H2,(H2,23,25,26)
InChIKeyLKPRXQIBBRUDTB-UHFFFAOYSA-N
XLogP4.24
TPSA80.71 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea
CID 3341724
methyl (2S)-2-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethylcarbamoylamino)propanoate
CID 56879720
1-[(4-chlorophenyl)methyl]-3-(2-cyanophenyl)urea
CID 108899194
1-(2,6-diethylphenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)thiourea
CID 4220236
N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)-1-benzofuran-2-carboxamide
CID 3297671
3,4-difluoro-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide
CID 3428305
3-(carbamoylamino)-N-(6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indol-2-ylmethyl)propanamide
CID 56867108
N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide
CID 4997944
1-(3-chlorophenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)thiourea
CID 5082908
[2-(benzylamino)-2-oxoethyl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 55321421
N-[2-(2,2,2-trifluoroethylamino)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 47076267
2-amino-3-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid
CID 117362582

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea?
The IUPAC name of 1-(2-cyanophenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea (CID 8990549) is 1-(2-cyanophenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea.
What is the SMILES notation for 1-(2-cyanophenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea?
The canonical SMILES for 1-(2-cyanophenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea is N#Cc1ccccc1NC(=O)NCc1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of 1-(2-cyanophenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea?
The InChIKey is LKPRXQIBBRUDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c22-12-15-5-1-3-7-18(15)25-21(26)23-13-14-9-10-20-17(11-14)16-6-2-4-8-19(16)24-20/h1,3,5,7,9-11,24H,2,4,6,8,13H2,(H2,23,25,26).
What are the key properties of 1-(2-cyanophenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea?
1-(2-cyanophenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea has a molecular weight of 344.42 g/mol, XLogP of 4.24, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea is sourced from PubChem (CID 8990549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).