N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-methylbenzamide

C21H24N4O3 — CID 15989978

IUPACN-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc3c(cc2N2CCOCC2)n(C)c(=O)n3C)c1
InChIInChI=1S/C21H24N4O3/c1-14-5-4-6-15(11-14)20(26)22-16-12-18-19(24(3)21(27)23(18)2)13-17(16)25-7-9-28-10-8-25/h4-6,11-13H,7-10H2,1-3H3,(H,22,26)
InChIKeyBNVFMYIUKBTDHR-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.27
Rot. Bonds3

About N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-methylbenzamide

N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-methylbenzamide (PubChem CID 15989978) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-methylbenzamide
PubChem CID15989978
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc3c(cc2N2CCOCC2)n(C)c(=O)n3C)c1
InChIInChI=1S/C21H24N4O3/c1-14-5-4-6-15(11-14)20(26)22-16-12-18-19(24(3)21(27)23(18)2)13-17(16)25-7-9-28-10-8-25/h4-6,11-13H,7-10H2,1-3H3,(H,22,26)
InChIKeyBNVFMYIUKBTDHR-UHFFFAOYSA-N
XLogP2.27
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-methylbenzamide?
The IUPAC name of N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-methylbenzamide (CID 15989978) is N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-methylbenzamide.
What is the SMILES notation for N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-methylbenzamide?
The canonical SMILES for N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2cc3c(cc2N2CCOCC2)n(C)c(=O)n3C)c1.
What is the InChIKey of N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-methylbenzamide?
The InChIKey is BNVFMYIUKBTDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-14-5-4-6-15(11-14)20(26)22-16-12-18-19(24(3)21(27)23(18)2)13-17(16)25-7-9-28-10-8-25/h4-6,11-13H,7-10H2,1-3H3,(H,22,26).
What are the key properties of N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-methylbenzamide?
N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-methylbenzamide has a molecular weight of 380.45 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-methylbenzamide is sourced from PubChem (CID 15989978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).