1,1-bis(1H-indol-3-yl)urea

C17H14N4O — CID 57486091

IUPAC1,1-bis(1H-indol-3-yl)urea
SMILESNC(=O)N(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C17H14N4O/c18-17(22)21(15-9-19-13-7-3-1-5-11(13)15)16-10-20-14-8-4-2-6-12(14)16/h1-10,19-20H,(H2,18,22)
InChIKeyNFJXTBSTHFMIRZ-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.87
Rot. Bonds2

About 1,1-bis(1H-indol-3-yl)urea

1,1-bis(1H-indol-3-yl)urea (PubChem CID 57486091) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 1,1-bis(1H-indol-3-yl)urea.

Molecular Properties

Compound Name1,1-bis(1H-indol-3-yl)urea
PubChem CID57486091
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name1,1-bis(1H-indol-3-yl)urea
SMILESNC(=O)N(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C17H14N4O/c18-17(22)21(15-9-19-13-7-3-1-5-11(13)15)16-10-20-14-8-4-2-6-12(14)16/h1-10,19-20H,(H2,18,22)
InChIKeyNFJXTBSTHFMIRZ-UHFFFAOYSA-N
XLogP3.87
TPSA77.91 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

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4-amino-N-(1H-indol-3-yl)-N-methylbenzamide
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CID 115157790
N-(1H-indol-3-yl)-N-sulfanylformamide
CID 174315723
2-[1H-indol-3-ylmethyl(methyl)amino]acetamide
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3-[1H-indol-3-yl(methyl)amino]-3-methylbutanoic acid
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2-(4-oxo-1H-quinolin-3-yl)benzamide
CID 154148110
N-methyl-N-propan-2-yl-1H-indol-3-amine
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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(1H-indol-3-yl)urea?
The IUPAC name of 1,1-bis(1H-indol-3-yl)urea (CID 57486091) is 1,1-bis(1H-indol-3-yl)urea.
What is the SMILES notation for 1,1-bis(1H-indol-3-yl)urea?
The canonical SMILES for 1,1-bis(1H-indol-3-yl)urea is NC(=O)N(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12.
What is the InChIKey of 1,1-bis(1H-indol-3-yl)urea?
The InChIKey is NFJXTBSTHFMIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c18-17(22)21(15-9-19-13-7-3-1-5-11(13)15)16-10-20-14-8-4-2-6-12(14)16/h1-10,19-20H,(H2,18,22).
What are the key properties of 1,1-bis(1H-indol-3-yl)urea?
1,1-bis(1H-indol-3-yl)urea has a molecular weight of 290.33 g/mol, XLogP of 3.87, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(1H-indol-3-yl)urea is sourced from PubChem (CID 57486091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).