methyl 2-(ethylcarbamoylamino)-6-[2-methyl-6-oxo-1-(pyridin-2-ylmethyl)-4-pyridinyl]-1H-benzimidazole-4-carboxylate

C24H24N6O4 — CID 10027281

IUPACmethyl 2-(ethylcarbamoylamino)-6-[2-methyl-6-oxo-1-(pyridin-2-ylmethyl)-4-pyridinyl]-1H-benzimidazole-4-carboxylate
SMILESCCNC(=O)Nc1nc2c(C(=O)OC)cc(-c3cc(C)n(Cc4ccccn4)c(=O)c3)cc2[nH]1
InChIInChI=1S/C24H24N6O4/c1-4-25-24(33)29-23-27-19-11-16(10-18(21(19)28-23)22(32)34-3)15-9-14(2)30(20(31)12-15)13-17-7-5-6-8-26-17/h5-12H,4,13H2,1-3H3,(H3,25,27,28,29,33)
InChIKeyYLAQUXBEEWTSGV-UHFFFAOYSA-N
MW460.49 g/mol
LogP3.07
Rot. Bonds6

About methyl 2-(ethylcarbamoylamino)-6-[2-methyl-6-oxo-1-(pyridin-2-ylmethyl)-4-pyridinyl]-1H-benzimidazole-4-carboxylate

methyl 2-(ethylcarbamoylamino)-6-[2-methyl-6-oxo-1-(pyridin-2-ylmethyl)-4-pyridinyl]-1H-benzimidazole-4-carboxylate (PubChem CID 10027281) has the molecular formula C24H24N6O4 and a molecular weight of 460.49 g/mol. Its IUPAC name is methyl 2-(ethylcarbamoylamino)-6-[2-methyl-6-oxo-1-(pyridin-2-ylmethyl)-4-pyridinyl]-1H-benzimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(ethylcarbamoylamino)-6-[2-methyl-6-oxo-1-(pyridin-2-ylmethyl)-4-pyridinyl]-1H-benzimidazole-4-carboxylate
PubChem CID10027281
Molecular FormulaC24H24N6O4
Molecular Weight460.49 g/mol
Exact Mass460.19
IUPAC Namemethyl 2-(ethylcarbamoylamino)-6-[2-methyl-6-oxo-1-(pyridin-2-ylmethyl)-4-pyridinyl]-1H-benzimidazole-4-carboxylate
SMILESCCNC(=O)Nc1nc2c(C(=O)OC)cc(-c3cc(C)n(Cc4ccccn4)c(=O)c3)cc2[nH]1
InChIInChI=1S/C24H24N6O4/c1-4-25-24(33)29-23-27-19-11-16(10-18(21(19)28-23)22(32)34-3)15-9-14(2)30(20(31)12-15)13-17-7-5-6-8-26-17/h5-12H,4,13H2,1-3H3,(H3,25,27,28,29,33)
InChIKeyYLAQUXBEEWTSGV-UHFFFAOYSA-N
XLogP3.07
TPSA131.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylcarbamoylamino)-6-[2-methyl-6-oxo-1-(pyridin-2-ylmethyl)-4-pyridinyl]-1H-benzimidazole-4-carboxylate?
The IUPAC name of methyl 2-(ethylcarbamoylamino)-6-[2-methyl-6-oxo-1-(pyridin-2-ylmethyl)-4-pyridinyl]-1H-benzimidazole-4-carboxylate (CID 10027281) is methyl 2-(ethylcarbamoylamino)-6-[2-methyl-6-oxo-1-(pyridin-2-ylmethyl)-4-pyridinyl]-1H-benzimidazole-4-carboxylate.
What is the SMILES notation for methyl 2-(ethylcarbamoylamino)-6-[2-methyl-6-oxo-1-(pyridin-2-ylmethyl)-4-pyridinyl]-1H-benzimidazole-4-carboxylate?
The canonical SMILES for methyl 2-(ethylcarbamoylamino)-6-[2-methyl-6-oxo-1-(pyridin-2-ylmethyl)-4-pyridinyl]-1H-benzimidazole-4-carboxylate is CCNC(=O)Nc1nc2c(C(=O)OC)cc(-c3cc(C)n(Cc4ccccn4)c(=O)c3)cc2[nH]1.
What is the InChIKey of methyl 2-(ethylcarbamoylamino)-6-[2-methyl-6-oxo-1-(pyridin-2-ylmethyl)-4-pyridinyl]-1H-benzimidazole-4-carboxylate?
The InChIKey is YLAQUXBEEWTSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O4/c1-4-25-24(33)29-23-27-19-11-16(10-18(21(19)28-23)22(32)34-3)15-9-14(2)30(20(31)12-15)13-17-7-5-6-8-26-17/h5-12H,4,13H2,1-3H3,(H3,25,27,28,29,33).
What are the key properties of methyl 2-(ethylcarbamoylamino)-6-[2-methyl-6-oxo-1-(pyridin-2-ylmethyl)-4-pyridinyl]-1H-benzimidazole-4-carboxylate?
methyl 2-(ethylcarbamoylamino)-6-[2-methyl-6-oxo-1-(pyridin-2-ylmethyl)-4-pyridinyl]-1H-benzimidazole-4-carboxylate has a molecular weight of 460.49 g/mol, XLogP of 3.07, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylcarbamoylamino)-6-[2-methyl-6-oxo-1-(pyridin-2-ylmethyl)-4-pyridinyl]-1H-benzimidazole-4-carboxylate is sourced from PubChem (CID 10027281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).