1H-benzimidazol-4-ylurea;1,1-diphenylurea

C21H20N6O2 — CID 174558316

IUPAC1H-benzimidazol-4-ylurea;1,1-diphenylurea
SMILESNC(=O)N(c1ccccc1)c1ccccc1.NC(=O)Nc1cccc2[nH]cnc12
InChIInChI=1S/C13H12N2O.C8H8N4O/c14-13(16)15(11-7-3-1-4-8-11)12-9-5-2-6-10-12;9-8(13)12-6-3-1-2-5-7(6)11-4-10-5/h1-10H,(H2,14,16);1-4H,(H,10,11)(H3,9,12,13)
InChIKeyNNNWNCGQPUXDDH-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.96
Rot. Bonds3

About 1H-benzimidazol-4-ylurea;1,1-diphenylurea

1H-benzimidazol-4-ylurea;1,1-diphenylurea (PubChem CID 174558316) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 1H-benzimidazol-4-ylurea;1,1-diphenylurea.

Molecular Properties

Compound Name1H-benzimidazol-4-ylurea;1,1-diphenylurea
PubChem CID174558316
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name1H-benzimidazol-4-ylurea;1,1-diphenylurea
SMILESNC(=O)N(c1ccccc1)c1ccccc1.NC(=O)Nc1cccc2[nH]cnc12
InChIInChI=1S/C13H12N2O.C8H8N4O/c14-13(16)15(11-7-3-1-4-8-11)12-9-5-2-6-10-12;9-8(13)12-6-3-1-2-5-7(6)11-4-10-5/h1-10H,(H2,14,16);1-4H,(H,10,11)(H3,9,12,13)
InChIKeyNNNWNCGQPUXDDH-UHFFFAOYSA-N
XLogP3.96
TPSA130.13 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-4-ylurea;1,1-diphenylurea?
The IUPAC name of 1H-benzimidazol-4-ylurea;1,1-diphenylurea (CID 174558316) is 1H-benzimidazol-4-ylurea;1,1-diphenylurea.
What is the SMILES notation for 1H-benzimidazol-4-ylurea;1,1-diphenylurea?
The canonical SMILES for 1H-benzimidazol-4-ylurea;1,1-diphenylurea is NC(=O)N(c1ccccc1)c1ccccc1.NC(=O)Nc1cccc2[nH]cnc12.
What is the InChIKey of 1H-benzimidazol-4-ylurea;1,1-diphenylurea?
The InChIKey is NNNWNCGQPUXDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O.C8H8N4O/c14-13(16)15(11-7-3-1-4-8-11)12-9-5-2-6-10-12;9-8(13)12-6-3-1-2-5-7(6)11-4-10-5/h1-10H,(H2,14,16);1-4H,(H,10,11)(H3,9,12,13).
What are the key properties of 1H-benzimidazol-4-ylurea;1,1-diphenylurea?
1H-benzimidazol-4-ylurea;1,1-diphenylurea has a molecular weight of 388.43 g/mol, XLogP of 3.96, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-4-ylurea;1,1-diphenylurea is sourced from PubChem (CID 174558316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).