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

C29H33N5O2 — CID 58938040

IUPAC3-(1H-benzimidazol-2-yl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea
SMILESO=C(Nc1nc2ccccc2[nH]1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
InChIInChI=1S/C29H33N5O2/c35-29(32-28-30-26-13-7-8-14-27(26)31-28)34(18-17-33-19-21-36-22-20-33)16-15-25(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-14,25H,15-22H2,(H2,30,31,32,35)
InChIKeyMCVGAZGWMPVBGX-UHFFFAOYSA-N
MW483.62 g/mol
LogP4.95
Rot. Bonds9

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

3-(1H-benzimidazol-2-yl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea (PubChem CID 58938040) has the molecular formula C29H33N5O2 and a molecular weight of 483.62 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea
PubChem CID58938040
Molecular FormulaC29H33N5O2
Molecular Weight483.62 g/mol
Exact Mass483.26
IUPAC Name3-(1H-benzimidazol-2-yl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea
SMILESO=C(Nc1nc2ccccc2[nH]1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
InChIInChI=1S/C29H33N5O2/c35-29(32-28-30-26-13-7-8-14-27(26)31-28)34(18-17-33-19-21-36-22-20-33)16-15-25(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-14,25H,15-22H2,(H2,30,31,32,35)
InChIKeyMCVGAZGWMPVBGX-UHFFFAOYSA-N
XLogP4.95
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Alinastine
CID 132974
5H-Pyrrolo(3,2-d)pyrimidine, 2-methyl-4-(4-morpholinyl)-6-phenyl-
CID 3087469
1-Ethyl-3-(5-phenyl-1H-benzoimidazol-2-yl)-urea
CID 18008864
8-[5-(4-Fluorophenyl)-1H-benzimidazol-2-yl]-3-phenyl-1-oxa-3,8-diazaspiro-[4.5]decan-2-one
CID 25071620
N-[(1-benzylbenzimidazol-2-yl)methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine
CID 658809
N-(2-morpholin-4-yl-3H-benzimidazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 44143501
1-(3H-benzimidazol-5-yl)-3-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]urea
CID 11213416
N-(3-(1-(4-(1-(4-fluorophenyl)-1H-benzo[d]imidazol-2-yl)butyl)piperidin-4-yl)phenyl)acetamide
CID 46933538
2-amino-N-(4-phenylbutyl)benzimidazole-1-carboxamide
CID 137653239
ethyl 2-[[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]acetyl]amino]acetate
CID 16810437
N-[4-(diethylamino)benzyl]-1-[2-(4-morpholinyl)ethyl]-1H-benzimidazol-2-amine
CID 1291397
2-phenyl-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole
CID 10762475

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea (CID 58938040) is 3-(1H-benzimidazol-2-yl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea is O=C(Nc1nc2ccccc2[nH]1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea?
The InChIKey is MCVGAZGWMPVBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O2/c35-29(32-28-30-26-13-7-8-14-27(26)31-28)34(18-17-33-19-21-36-22-20-33)16-15-25(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-14,25H,15-22H2,(H2,30,31,32,35).
What are the key properties of 3-(1H-benzimidazol-2-yl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea?
3-(1H-benzimidazol-2-yl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea has a molecular weight of 483.62 g/mol, XLogP of 4.95, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 58938040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).