1-cyclohexyl-2-(2-methylpteridin-6-yl)benzimidazole-5-carboxamide;ethanol;molecular hydrogen

C23H29N7O2 — CID 142997505

IUPAC1-cyclohexyl-2-(2-methylpteridin-6-yl)benzimidazole-5-carboxamide;ethanol;molecular hydrogen
SMILESCCO.Cc1ncc2nc(-c3nc4cc(C(N)=O)ccc4n3C3CCCCC3)cnc2n1.[H][H]
InChIInChI=1S/C21H21N7O.C2H6O.H2/c1-12-23-10-16-20(25-12)24-11-17(26-16)21-27-15-9-13(19(22)29)7-8-18(15)28(21)14-5-3-2-4-6-14;1-2-3;/h7-11,14H,2-6H2,1H3,(H2,22,29);3H,2H2,1H3;1H
InChIKeyHBHVEJHNENLYGP-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.59
Rot. Bonds3

About 1-cyclohexyl-2-(2-methylpteridin-6-yl)benzimidazole-5-carboxamide;ethanol;molecular hydrogen

1-cyclohexyl-2-(2-methylpteridin-6-yl)benzimidazole-5-carboxamide;ethanol;molecular hydrogen (PubChem CID 142997505) has the molecular formula C23H29N7O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2-methylpteridin-6-yl)benzimidazole-5-carboxamide;ethanol;molecular hydrogen.

Molecular Properties

Compound Name1-cyclohexyl-2-(2-methylpteridin-6-yl)benzimidazole-5-carboxamide;ethanol;molecular hydrogen
PubChem CID142997505
Molecular FormulaC23H29N7O2
Molecular Weight435.53 g/mol
Exact Mass435.24
IUPAC Name1-cyclohexyl-2-(2-methylpteridin-6-yl)benzimidazole-5-carboxamide;ethanol;molecular hydrogen
SMILESCCO.Cc1ncc2nc(-c3nc4cc(C(N)=O)ccc4n3C3CCCCC3)cnc2n1.[H][H]
InChIInChI=1S/C21H21N7O.C2H6O.H2/c1-12-23-10-16-20(25-12)24-11-17(26-16)21-27-15-9-13(19(22)29)7-8-18(15)28(21)14-5-3-2-4-6-14;1-2-3;/h7-11,14H,2-6H2,1H3,(H2,22,29);3H,2H2,1H3;1H
InChIKeyHBHVEJHNENLYGP-UHFFFAOYSA-N
XLogP3.59
TPSA132.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2-methylpteridin-6-yl)benzimidazole-5-carboxamide;ethanol;molecular hydrogen?
The IUPAC name of 1-cyclohexyl-2-(2-methylpteridin-6-yl)benzimidazole-5-carboxamide;ethanol;molecular hydrogen (CID 142997505) is 1-cyclohexyl-2-(2-methylpteridin-6-yl)benzimidazole-5-carboxamide;ethanol;molecular hydrogen.
What is the SMILES notation for 1-cyclohexyl-2-(2-methylpteridin-6-yl)benzimidazole-5-carboxamide;ethanol;molecular hydrogen?
The canonical SMILES for 1-cyclohexyl-2-(2-methylpteridin-6-yl)benzimidazole-5-carboxamide;ethanol;molecular hydrogen is CCO.Cc1ncc2nc(-c3nc4cc(C(N)=O)ccc4n3C3CCCCC3)cnc2n1.[H][H].
What is the InChIKey of 1-cyclohexyl-2-(2-methylpteridin-6-yl)benzimidazole-5-carboxamide;ethanol;molecular hydrogen?
The InChIKey is HBHVEJHNENLYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O.C2H6O.H2/c1-12-23-10-16-20(25-12)24-11-17(26-16)21-27-15-9-13(19(22)29)7-8-18(15)28(21)14-5-3-2-4-6-14;1-2-3;/h7-11,14H,2-6H2,1H3,(H2,22,29);3H,2H2,1H3;1H.
What are the key properties of 1-cyclohexyl-2-(2-methylpteridin-6-yl)benzimidazole-5-carboxamide;ethanol;molecular hydrogen?
1-cyclohexyl-2-(2-methylpteridin-6-yl)benzimidazole-5-carboxamide;ethanol;molecular hydrogen has a molecular weight of 435.53 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2-methylpteridin-6-yl)benzimidazole-5-carboxamide;ethanol;molecular hydrogen is sourced from PubChem (CID 142997505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).