1-(3,3-diphenylpropyl)-3-(1-methylbenzimidazol-2-yl)-1-(2-morpholin-4-ylethyl)urea

C30H35N5O2 — CID 58938055

IUPAC1-(3,3-diphenylpropyl)-3-(1-methylbenzimidazol-2-yl)-1-(2-morpholin-4-ylethyl)urea
SMILESCn1c(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)nc2ccccc21
InChIInChI=1S/C30H35N5O2/c1-33-28-15-9-8-14-27(28)31-29(33)32-30(36)35(19-18-34-20-22-37-23-21-34)17-16-26(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-15,26H,16-23H2,1H3,(H,31,32,36)
InChIKeyFSQOBTYKZNGUPP-UHFFFAOYSA-N
MW497.64 g/mol
LogP4.96
Rot. Bonds9

About 1-(3,3-diphenylpropyl)-3-(1-methylbenzimidazol-2-yl)-1-(2-morpholin-4-ylethyl)urea

1-(3,3-diphenylpropyl)-3-(1-methylbenzimidazol-2-yl)-1-(2-morpholin-4-ylethyl)urea (PubChem CID 58938055) has the molecular formula C30H35N5O2 and a molecular weight of 497.64 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-3-(1-methylbenzimidazol-2-yl)-1-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-3-(1-methylbenzimidazol-2-yl)-1-(2-morpholin-4-ylethyl)urea
PubChem CID58938055
Molecular FormulaC30H35N5O2
Molecular Weight497.64 g/mol
Exact Mass497.28
IUPAC Name1-(3,3-diphenylpropyl)-3-(1-methylbenzimidazol-2-yl)-1-(2-morpholin-4-ylethyl)urea
SMILESCn1c(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)nc2ccccc21
InChIInChI=1S/C30H35N5O2/c1-33-28-15-9-8-14-27(28)31-29(33)32-30(36)35(19-18-34-20-22-37-23-21-34)17-16-26(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-15,26H,16-23H2,1H3,(H,31,32,36)
InChIKeyFSQOBTYKZNGUPP-UHFFFAOYSA-N
XLogP4.96
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.64
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropyl)-3-(1-methylbenzimidazol-2-yl)-1-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-(3,3-diphenylpropyl)-3-(1-methylbenzimidazol-2-yl)-1-(2-morpholin-4-ylethyl)urea (CID 58938055) is 1-(3,3-diphenylpropyl)-3-(1-methylbenzimidazol-2-yl)-1-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-3-(1-methylbenzimidazol-2-yl)-1-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-(3,3-diphenylpropyl)-3-(1-methylbenzimidazol-2-yl)-1-(2-morpholin-4-ylethyl)urea is Cn1c(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)nc2ccccc21.
What is the InChIKey of 1-(3,3-diphenylpropyl)-3-(1-methylbenzimidazol-2-yl)-1-(2-morpholin-4-ylethyl)urea?
The InChIKey is FSQOBTYKZNGUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O2/c1-33-28-15-9-8-14-27(28)31-29(33)32-30(36)35(19-18-34-20-22-37-23-21-34)17-16-26(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-15,26H,16-23H2,1H3,(H,31,32,36).
What are the key properties of 1-(3,3-diphenylpropyl)-3-(1-methylbenzimidazol-2-yl)-1-(2-morpholin-4-ylethyl)urea?
1-(3,3-diphenylpropyl)-3-(1-methylbenzimidazol-2-yl)-1-(2-morpholin-4-ylethyl)urea has a molecular weight of 497.64 g/mol, XLogP of 4.96, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpropyl)-3-(1-methylbenzimidazol-2-yl)-1-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 58938055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).