7-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-cyclopropyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C25H24N6O — CID 117077841

IUPAC7-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-cyclopropyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESNc1nccc(-c2ccc3nc(C4CCc5ccc(C(=O)NC6CC6)cc5C4)[nH]c3c2)n1
InChIInChI=1S/C25H24N6O/c26-25-27-10-9-20(31-25)15-5-8-21-22(13-15)30-23(29-21)16-3-1-14-2-4-17(12-18(14)11-16)24(32)28-19-6-7-19/h2,4-5,8-10,12-13,16,19H,1,3,6-7,11H2,(H,28,32)(H,29,30)(H2,26,27,31)
InChIKeyIIESNNFONMLFOT-UHFFFAOYSA-N
MW424.51 g/mol
LogP3.77
Rot. Bonds4

About 7-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-cyclopropyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide

7-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-cyclopropyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 117077841) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is 7-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-cyclopropyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name7-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-cyclopropyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID117077841
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC Name7-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-cyclopropyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESNc1nccc(-c2ccc3nc(C4CCc5ccc(C(=O)NC6CC6)cc5C4)[nH]c3c2)n1
InChIInChI=1S/C25H24N6O/c26-25-27-10-9-20(31-25)15-5-8-21-22(13-15)30-23(29-21)16-3-1-14-2-4-17(12-18(14)11-16)24(32)28-19-6-7-19/h2,4-5,8-10,12-13,16,19H,1,3,6-7,11H2,(H,28,32)(H,29,30)(H2,26,27,31)
InChIKeyIIESNNFONMLFOT-UHFFFAOYSA-N
XLogP3.77
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-cyclopropyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of 7-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-cyclopropyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 117077841) is 7-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-cyclopropyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for 7-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-cyclopropyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for 7-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-cyclopropyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide is Nc1nccc(-c2ccc3nc(C4CCc5ccc(C(=O)NC6CC6)cc5C4)[nH]c3c2)n1.
What is the InChIKey of 7-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-cyclopropyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is IIESNNFONMLFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O/c26-25-27-10-9-20(31-25)15-5-8-21-22(13-15)30-23(29-21)16-3-1-14-2-4-17(12-18(14)11-16)24(32)28-19-6-7-19/h2,4-5,8-10,12-13,16,19H,1,3,6-7,11H2,(H,28,32)(H,29,30)(H2,26,27,31).
What are the key properties of 7-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-cyclopropyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
7-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-cyclopropyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 424.51 g/mol, XLogP of 3.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-N-cyclopropyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 117077841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).