N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-(pyrimidin-4-ylmethyl)pyrrole-3-carboxamide

C20H20N6O2 — CID 167130276

IUPACN-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-(pyrimidin-4-ylmethyl)pyrrole-3-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3cc(C)n(Cc4ccncn4)c3C)[nH]c2c1
InChIInChI=1S/C20H20N6O2/c1-12-8-16(13(2)26(12)10-14-6-7-21-11-22-14)19(27)25-20-23-17-5-4-15(28-3)9-18(17)24-20/h4-9,11H,10H2,1-3H3,(H2,23,24,25,27)
InChIKeyUWRSMOAYGSDXCI-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.08
Rot. Bonds5

About N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-(pyrimidin-4-ylmethyl)pyrrole-3-carboxamide

N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-(pyrimidin-4-ylmethyl)pyrrole-3-carboxamide (PubChem CID 167130276) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-(pyrimidin-4-ylmethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-(pyrimidin-4-ylmethyl)pyrrole-3-carboxamide
PubChem CID167130276
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC NameN-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-(pyrimidin-4-ylmethyl)pyrrole-3-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3cc(C)n(Cc4ccncn4)c3C)[nH]c2c1
InChIInChI=1S/C20H20N6O2/c1-12-8-16(13(2)26(12)10-14-6-7-21-11-22-14)19(27)25-20-23-17-5-4-15(28-3)9-18(17)24-20/h4-9,11H,10H2,1-3H3,(H2,23,24,25,27)
InChIKeyUWRSMOAYGSDXCI-UHFFFAOYSA-N
XLogP3.08
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-(pyrimidin-4-ylmethyl)pyrrole-3-carboxamide?
The IUPAC name of N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-(pyrimidin-4-ylmethyl)pyrrole-3-carboxamide (CID 167130276) is N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-(pyrimidin-4-ylmethyl)pyrrole-3-carboxamide.
What is the SMILES notation for N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-(pyrimidin-4-ylmethyl)pyrrole-3-carboxamide?
The canonical SMILES for N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-(pyrimidin-4-ylmethyl)pyrrole-3-carboxamide is COc1ccc2nc(NC(=O)c3cc(C)n(Cc4ccncn4)c3C)[nH]c2c1.
What is the InChIKey of N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-(pyrimidin-4-ylmethyl)pyrrole-3-carboxamide?
The InChIKey is UWRSMOAYGSDXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-12-8-16(13(2)26(12)10-14-6-7-21-11-22-14)19(27)25-20-23-17-5-4-15(28-3)9-18(17)24-20/h4-9,11H,10H2,1-3H3,(H2,23,24,25,27).
What are the key properties of N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-(pyrimidin-4-ylmethyl)pyrrole-3-carboxamide?
N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-(pyrimidin-4-ylmethyl)pyrrole-3-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-(pyrimidin-4-ylmethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 167130276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).