1-(1-methylindol-5-yl)-3-phenylurea;hydrochloride

C16H16ClN3O — CID 45259292

IUPAC1-(1-methylindol-5-yl)-3-phenylurea;hydrochloride
SMILESCl.Cn1ccc2cc(NC(=O)Nc3ccccc3)ccc21
InChIInChI=1S/C16H15N3O.ClH/c1-19-10-9-12-11-14(7-8-15(12)19)18-16(20)17-13-5-3-2-4-6-13;/h2-11H,1H3,(H2,17,18,20);1H
InChIKeyBEJJGNCQRGGHES-UHFFFAOYSA-N
MW301.78 g/mol
LogP4.24
Rot. Bonds2

About 1-(1-methylindol-5-yl)-3-phenylurea;hydrochloride

1-(1-methylindol-5-yl)-3-phenylurea;hydrochloride (PubChem CID 45259292) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 1-(1-methylindol-5-yl)-3-phenylurea;hydrochloride.

Molecular Properties

Compound Name1-(1-methylindol-5-yl)-3-phenylurea;hydrochloride
PubChem CID45259292
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name1-(1-methylindol-5-yl)-3-phenylurea;hydrochloride
SMILESCl.Cn1ccc2cc(NC(=O)Nc3ccccc3)ccc21
InChIInChI=1S/C16H15N3O.ClH/c1-19-10-9-12-11-14(7-8-15(12)19)18-16(20)17-13-5-3-2-4-6-13;/h2-11H,1H3,(H2,17,18,20);1H
InChIKeyBEJJGNCQRGGHES-UHFFFAOYSA-N
XLogP4.24
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-methylindol-5-yl)-3-(2-methylquinolin-4-yl)urea;hydrochloride
CID 67733477
1-[4-(N'-benzylcarbamimidoyl)phenyl]-3-(1-methylindol-5-yl)urea
CID 54074413
1-(1-methylindol-5-yl)-3-quinolin-4-ylurea;hydrochloride
CID 18475688
1-[3-[1-(benzylamino)ethyl]phenyl]-3-(1-methylindol-5-yl)urea
CID 54139254
1-(3-carbamimidoylphenyl)-3-(1-methylindol-5-yl)urea;hydroiodide
CID 67768152
1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(1-methylindol-5-yl)urea
CID 139889780
1-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(1-methylindol-5-yl)urea
CID 139889793
N-(1-methylindol-5-yl)-2-(1-methylpyrrol-2-yl)acetamide
CID 138964414
(2S)-2-amino-3-methyl-N-(1-methylindol-5-yl)butanamide
CID 110837856
4-tert-butyl-N-(1-methylindol-5-yl)benzamide
CID 70990201
4-(1-methylindol-5-yl)sulfonyl-N-phenylpiperazine-1-carboxamide
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CID 110838357

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindol-5-yl)-3-phenylurea;hydrochloride?
The IUPAC name of 1-(1-methylindol-5-yl)-3-phenylurea;hydrochloride (CID 45259292) is 1-(1-methylindol-5-yl)-3-phenylurea;hydrochloride.
What is the SMILES notation for 1-(1-methylindol-5-yl)-3-phenylurea;hydrochloride?
The canonical SMILES for 1-(1-methylindol-5-yl)-3-phenylurea;hydrochloride is Cl.Cn1ccc2cc(NC(=O)Nc3ccccc3)ccc21.
What is the InChIKey of 1-(1-methylindol-5-yl)-3-phenylurea;hydrochloride?
The InChIKey is BEJJGNCQRGGHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O.ClH/c1-19-10-9-12-11-14(7-8-15(12)19)18-16(20)17-13-5-3-2-4-6-13;/h2-11H,1H3,(H2,17,18,20);1H.
What are the key properties of 1-(1-methylindol-5-yl)-3-phenylurea;hydrochloride?
1-(1-methylindol-5-yl)-3-phenylurea;hydrochloride has a molecular weight of 301.78 g/mol, XLogP of 4.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindol-5-yl)-3-phenylurea;hydrochloride is sourced from PubChem (CID 45259292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).