1-(2-methyl-3H-indol-6-yl)-3-naphthalen-2-ylurea

C20H17N3O — CID 164971950

IUPAC1-(2-methyl-3H-indol-6-yl)-3-naphthalen-2-ylurea
SMILESCC1=Nc2cc(NC(=O)Nc3ccc4ccccc4c3)ccc2C1
InChIInChI=1S/C20H17N3O/c1-13-10-16-7-9-18(12-19(16)21-13)23-20(24)22-17-8-6-14-4-2-3-5-15(14)11-17/h2-9,11-12H,10H2,1H3,(H2,22,23,24)
InChIKeyBQSRRYNVBXUECY-UHFFFAOYSA-N
MW315.38 g/mol
LogP5.13
Rot. Bonds2

About 1-(2-methyl-3H-indol-6-yl)-3-naphthalen-2-ylurea

1-(2-methyl-3H-indol-6-yl)-3-naphthalen-2-ylurea (PubChem CID 164971950) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-(2-methyl-3H-indol-6-yl)-3-naphthalen-2-ylurea.

Molecular Properties

Compound Name1-(2-methyl-3H-indol-6-yl)-3-naphthalen-2-ylurea
PubChem CID164971950
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name1-(2-methyl-3H-indol-6-yl)-3-naphthalen-2-ylurea
SMILESCC1=Nc2cc(NC(=O)Nc3ccc4ccccc4c3)ccc2C1
InChIInChI=1S/C20H17N3O/c1-13-10-16-7-9-18(12-19(16)21-13)23-20(24)22-17-8-6-14-4-2-3-5-15(14)11-17/h2-9,11-12H,10H2,1H3,(H2,22,23,24)
InChIKeyBQSRRYNVBXUECY-UHFFFAOYSA-N
XLogP5.13
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.38
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-isocyanophenyl)-3-(2-methyl-3H-indol-6-yl)urea
CID 164966051
1-(3,4-dimethylphenyl)-3-naphthalen-2-ylurea
CID 108894077
1-(3,5-dihydroxyphenyl)-3-naphthalen-2-ylurea
CID 108895519
1-methyl-3-naphthalen-2-ylurea
CID 3454681
1-(4-tert-butylphenyl)-3-naphthalen-2-ylurea
CID 108884834
1-(4-methyl-3-nitrophenyl)-3-naphthalen-2-ylurea
CID 6611556
1-(6-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea
CID 91060621
1-(1-methylpiperidin-4-yl)-3-naphthalen-2-ylurea
CID 78832160
1-(3-acetylphenyl)-3-[2-[(4-methylphenyl)methylsulfanyl]-3H-indol-6-yl]urea
CID 164963998
(Z)-4-(naphthalen-2-ylamino)pent-3-en-2-one
CID 7335849
1-(4-butylphenyl)-3-naphthalen-2-ylurea
CID 17265768
1-(7-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea
CID 90803525

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3H-indol-6-yl)-3-naphthalen-2-ylurea?
The IUPAC name of 1-(2-methyl-3H-indol-6-yl)-3-naphthalen-2-ylurea (CID 164971950) is 1-(2-methyl-3H-indol-6-yl)-3-naphthalen-2-ylurea.
What is the SMILES notation for 1-(2-methyl-3H-indol-6-yl)-3-naphthalen-2-ylurea?
The canonical SMILES for 1-(2-methyl-3H-indol-6-yl)-3-naphthalen-2-ylurea is CC1=Nc2cc(NC(=O)Nc3ccc4ccccc4c3)ccc2C1.
What is the InChIKey of 1-(2-methyl-3H-indol-6-yl)-3-naphthalen-2-ylurea?
The InChIKey is BQSRRYNVBXUECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-13-10-16-7-9-18(12-19(16)21-13)23-20(24)22-17-8-6-14-4-2-3-5-15(14)11-17/h2-9,11-12H,10H2,1H3,(H2,22,23,24).
What are the key properties of 1-(2-methyl-3H-indol-6-yl)-3-naphthalen-2-ylurea?
1-(2-methyl-3H-indol-6-yl)-3-naphthalen-2-ylurea has a molecular weight of 315.38 g/mol, XLogP of 5.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3H-indol-6-yl)-3-naphthalen-2-ylurea is sourced from PubChem (CID 164971950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).