methyl 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-1-methylbenzimidazole-5-carboxylate

C20H24N4O3 — CID 159729834

IUPACmethyl 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-1-methylbenzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(N(C)Cc1ncc(C)c(OC)c1C)n2C
InChIInChI=1S/C20H24N4O3/c1-12-10-21-16(13(2)18(12)26-5)11-23(3)20-22-15-9-14(19(25)27-6)7-8-17(15)24(20)4/h7-10H,11H2,1-6H3
InChIKeySVXLXXVFQCOTCG-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.02
Rot. Bonds5

About methyl 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-1-methylbenzimidazole-5-carboxylate

methyl 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-1-methylbenzimidazole-5-carboxylate (PubChem CID 159729834) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is methyl 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-1-methylbenzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-1-methylbenzimidazole-5-carboxylate
PubChem CID159729834
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Namemethyl 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-1-methylbenzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(N(C)Cc1ncc(C)c(OC)c1C)n2C
InChIInChI=1S/C20H24N4O3/c1-12-10-21-16(13(2)18(12)26-5)11-23(3)20-22-15-9-14(19(25)27-6)7-8-17(15)24(20)4/h7-10H,11H2,1-6H3
InChIKeySVXLXXVFQCOTCG-UHFFFAOYSA-N
XLogP3.02
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-1-methylbenzimidazole-5-carboxylate?
The IUPAC name of methyl 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-1-methylbenzimidazole-5-carboxylate (CID 159729834) is methyl 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-1-methylbenzimidazole-5-carboxylate.
What is the SMILES notation for methyl 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-1-methylbenzimidazole-5-carboxylate?
The canonical SMILES for methyl 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-1-methylbenzimidazole-5-carboxylate is COC(=O)c1ccc2c(c1)nc(N(C)Cc1ncc(C)c(OC)c1C)n2C.
What is the InChIKey of methyl 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-1-methylbenzimidazole-5-carboxylate?
The InChIKey is SVXLXXVFQCOTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-12-10-21-16(13(2)18(12)26-5)11-23(3)20-22-15-9-14(19(25)27-6)7-8-17(15)24(20)4/h7-10H,11H2,1-6H3.
What are the key properties of methyl 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-1-methylbenzimidazole-5-carboxylate?
methyl 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-1-methylbenzimidazole-5-carboxylate has a molecular weight of 368.44 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-1-methylbenzimidazole-5-carboxylate is sourced from PubChem (CID 159729834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).