1-benzyl-3-(9H-carbazol-3-yl)urea

C20H17N3O — CID 118398507

IUPAC1-benzyl-3-(9H-carbazol-3-yl)urea
SMILESO=C(NCc1ccccc1)Nc1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C20H17N3O/c24-20(21-13-14-6-2-1-3-7-14)22-15-10-11-19-17(12-15)16-8-4-5-9-18(16)23-19/h1-12,23H,13H2,(H2,21,22,24)
InChIKeyKGCXIDGZKVQDBP-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.64
Rot. Bonds3

About 1-benzyl-3-(9H-carbazol-3-yl)urea

1-benzyl-3-(9H-carbazol-3-yl)urea (PubChem CID 118398507) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-benzyl-3-(9H-carbazol-3-yl)urea.

Molecular Properties

Compound Name1-benzyl-3-(9H-carbazol-3-yl)urea
PubChem CID118398507
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name1-benzyl-3-(9H-carbazol-3-yl)urea
SMILESO=C(NCc1ccccc1)Nc1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C20H17N3O/c24-20(21-13-14-6-2-1-3-7-14)22-15-10-11-19-17(12-15)16-8-4-5-9-18(16)23-19/h1-12,23H,13H2,(H2,21,22,24)
InChIKeyKGCXIDGZKVQDBP-UHFFFAOYSA-N
XLogP4.64
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

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1-benzyl-3-(3-methylsulfanylphenyl)urea
CID 2822822
1-benzyl-3-(1H-indol-3-yl)urea
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1-(3-amino-1H-indazol-5-yl)-3-[(3-fluorophenyl)methyl]urea
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1-benzyl-3-[3-(2-phenylethynyl)phenyl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(9H-carbazol-3-yl)urea?
The IUPAC name of 1-benzyl-3-(9H-carbazol-3-yl)urea (CID 118398507) is 1-benzyl-3-(9H-carbazol-3-yl)urea.
What is the SMILES notation for 1-benzyl-3-(9H-carbazol-3-yl)urea?
The canonical SMILES for 1-benzyl-3-(9H-carbazol-3-yl)urea is O=C(NCc1ccccc1)Nc1ccc2[nH]c3ccccc3c2c1.
What is the InChIKey of 1-benzyl-3-(9H-carbazol-3-yl)urea?
The InChIKey is KGCXIDGZKVQDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c24-20(21-13-14-6-2-1-3-7-14)22-15-10-11-19-17(12-15)16-8-4-5-9-18(16)23-19/h1-12,23H,13H2,(H2,21,22,24).
What are the key properties of 1-benzyl-3-(9H-carbazol-3-yl)urea?
1-benzyl-3-(9H-carbazol-3-yl)urea has a molecular weight of 315.38 g/mol, XLogP of 4.64, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(9H-carbazol-3-yl)urea is sourced from PubChem (CID 118398507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).