1-cyclohexyl-1-[(1-methylindol-3-yl)methyl]-3-phenylurea

C23H27N3O — CID 15990992

IUPAC1-cyclohexyl-1-[(1-methylindol-3-yl)methyl]-3-phenylurea
SMILESCn1cc(CN(C(=O)Nc2ccccc2)C2CCCCC2)c2ccccc21
InChIInChI=1S/C23H27N3O/c1-25-16-18(21-14-8-9-15-22(21)25)17-26(20-12-6-3-7-13-20)23(27)24-19-10-4-2-5-11-19/h2,4-5,8-11,14-16,20H,3,6-7,12-13,17H2,1H3,(H,24,27)
InChIKeyOFFHLBNJTKEXOW-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.55
Rot. Bonds4

About 1-cyclohexyl-1-[(1-methylindol-3-yl)methyl]-3-phenylurea

1-cyclohexyl-1-[(1-methylindol-3-yl)methyl]-3-phenylurea (PubChem CID 15990992) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-cyclohexyl-1-[(1-methylindol-3-yl)methyl]-3-phenylurea.

Molecular Properties

Compound Name1-cyclohexyl-1-[(1-methylindol-3-yl)methyl]-3-phenylurea
PubChem CID15990992
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name1-cyclohexyl-1-[(1-methylindol-3-yl)methyl]-3-phenylurea
SMILESCn1cc(CN(C(=O)Nc2ccccc2)C2CCCCC2)c2ccccc21
InChIInChI=1S/C23H27N3O/c1-25-16-18(21-14-8-9-15-22(21)25)17-26(20-12-6-3-7-13-20)23(27)24-19-10-4-2-5-11-19/h2,4-5,8-11,14-16,20H,3,6-7,12-13,17H2,1H3,(H,24,27)
InChIKeyOFFHLBNJTKEXOW-UHFFFAOYSA-N
XLogP5.55
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-[(1-methylindol-3-yl)methyl]-3-phenylurea?
The IUPAC name of 1-cyclohexyl-1-[(1-methylindol-3-yl)methyl]-3-phenylurea (CID 15990992) is 1-cyclohexyl-1-[(1-methylindol-3-yl)methyl]-3-phenylurea.
What is the SMILES notation for 1-cyclohexyl-1-[(1-methylindol-3-yl)methyl]-3-phenylurea?
The canonical SMILES for 1-cyclohexyl-1-[(1-methylindol-3-yl)methyl]-3-phenylurea is Cn1cc(CN(C(=O)Nc2ccccc2)C2CCCCC2)c2ccccc21.
What is the InChIKey of 1-cyclohexyl-1-[(1-methylindol-3-yl)methyl]-3-phenylurea?
The InChIKey is OFFHLBNJTKEXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-25-16-18(21-14-8-9-15-22(21)25)17-26(20-12-6-3-7-13-20)23(27)24-19-10-4-2-5-11-19/h2,4-5,8-11,14-16,20H,3,6-7,12-13,17H2,1H3,(H,24,27).
What are the key properties of 1-cyclohexyl-1-[(1-methylindol-3-yl)methyl]-3-phenylurea?
1-cyclohexyl-1-[(1-methylindol-3-yl)methyl]-3-phenylurea has a molecular weight of 361.49 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-[(1-methylindol-3-yl)methyl]-3-phenylurea is sourced from PubChem (CID 15990992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).