1-(1,2-dimethylbenzimidazol-5-yl)-3-(4-morpholin-4-ylphenyl)urea

C20H23N5O2 — CID 1084037

IUPAC1-(1,2-dimethylbenzimidazol-5-yl)-3-(4-morpholin-4-ylphenyl)urea
SMILESCc1nc2cc(NC(=O)Nc3ccc(N4CCOCC4)cc3)ccc2n1C
InChIInChI=1S/C20H23N5O2/c1-14-21-18-13-16(5-8-19(18)24(14)2)23-20(26)22-15-3-6-17(7-4-15)25-9-11-27-12-10-25/h3-8,13H,9-12H2,1-2H3,(H2,22,23,26)
InChIKeyDUHXMHMRRDZFFF-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.36
Rot. Bonds3

About 1-(1,2-dimethylbenzimidazol-5-yl)-3-(4-morpholin-4-ylphenyl)urea

1-(1,2-dimethylbenzimidazol-5-yl)-3-(4-morpholin-4-ylphenyl)urea (PubChem CID 1084037) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-(1,2-dimethylbenzimidazol-5-yl)-3-(4-morpholin-4-ylphenyl)urea.

Molecular Properties

Compound Name1-(1,2-dimethylbenzimidazol-5-yl)-3-(4-morpholin-4-ylphenyl)urea
PubChem CID1084037
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name1-(1,2-dimethylbenzimidazol-5-yl)-3-(4-morpholin-4-ylphenyl)urea
SMILESCc1nc2cc(NC(=O)Nc3ccc(N4CCOCC4)cc3)ccc2n1C
InChIInChI=1S/C20H23N5O2/c1-14-21-18-13-16(5-8-19(18)24(14)2)23-20(26)22-15-3-6-17(7-4-15)25-9-11-27-12-10-25/h3-8,13H,9-12H2,1-2H3,(H2,22,23,26)
InChIKeyDUHXMHMRRDZFFF-UHFFFAOYSA-N
XLogP3.36
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylbenzimidazol-5-yl)-3-(4-morpholin-4-ylphenyl)urea?
The IUPAC name of 1-(1,2-dimethylbenzimidazol-5-yl)-3-(4-morpholin-4-ylphenyl)urea (CID 1084037) is 1-(1,2-dimethylbenzimidazol-5-yl)-3-(4-morpholin-4-ylphenyl)urea.
What is the SMILES notation for 1-(1,2-dimethylbenzimidazol-5-yl)-3-(4-morpholin-4-ylphenyl)urea?
The canonical SMILES for 1-(1,2-dimethylbenzimidazol-5-yl)-3-(4-morpholin-4-ylphenyl)urea is Cc1nc2cc(NC(=O)Nc3ccc(N4CCOCC4)cc3)ccc2n1C.
What is the InChIKey of 1-(1,2-dimethylbenzimidazol-5-yl)-3-(4-morpholin-4-ylphenyl)urea?
The InChIKey is DUHXMHMRRDZFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-14-21-18-13-16(5-8-19(18)24(14)2)23-20(26)22-15-3-6-17(7-4-15)25-9-11-27-12-10-25/h3-8,13H,9-12H2,1-2H3,(H2,22,23,26).
What are the key properties of 1-(1,2-dimethylbenzimidazol-5-yl)-3-(4-morpholin-4-ylphenyl)urea?
1-(1,2-dimethylbenzimidazol-5-yl)-3-(4-morpholin-4-ylphenyl)urea has a molecular weight of 365.44 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylbenzimidazol-5-yl)-3-(4-morpholin-4-ylphenyl)urea is sourced from PubChem (CID 1084037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).