2-[6-(diethylamino)-3-pyridinyl]-1-[(1-ethylpyrazol-3-yl)methyl]benzimidazole-4-carboxamide

C23H27N7O — CID 138466124

IUPAC2-[6-(diethylamino)-3-pyridinyl]-1-[(1-ethylpyrazol-3-yl)methyl]benzimidazole-4-carboxamide
SMILESCCN(CC)c1ccc(-c2nc3c(C(N)=O)cccc3n2Cc2ccn(CC)n2)cn1
InChIInChI=1S/C23H27N7O/c1-4-28(5-2)20-11-10-16(14-25-20)23-26-21-18(22(24)31)8-7-9-19(21)30(23)15-17-12-13-29(6-3)27-17/h7-14H,4-6,15H2,1-3H3,(H2,24,31)
InChIKeyFQCQJFROOOQKTJ-UHFFFAOYSA-N
MW417.52 g/mol
LogP3.31
Rot. Bonds8

About 2-[6-(diethylamino)-3-pyridinyl]-1-[(1-ethylpyrazol-3-yl)methyl]benzimidazole-4-carboxamide

2-[6-(diethylamino)-3-pyridinyl]-1-[(1-ethylpyrazol-3-yl)methyl]benzimidazole-4-carboxamide (PubChem CID 138466124) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is 2-[6-(diethylamino)-3-pyridinyl]-1-[(1-ethylpyrazol-3-yl)methyl]benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[6-(diethylamino)-3-pyridinyl]-1-[(1-ethylpyrazol-3-yl)methyl]benzimidazole-4-carboxamide
PubChem CID138466124
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC Name2-[6-(diethylamino)-3-pyridinyl]-1-[(1-ethylpyrazol-3-yl)methyl]benzimidazole-4-carboxamide
SMILESCCN(CC)c1ccc(-c2nc3c(C(N)=O)cccc3n2Cc2ccn(CC)n2)cn1
InChIInChI=1S/C23H27N7O/c1-4-28(5-2)20-11-10-16(14-25-20)23-26-21-18(22(24)31)8-7-9-19(21)30(23)15-17-12-13-29(6-3)27-17/h7-14H,4-6,15H2,1-3H3,(H2,24,31)
InChIKeyFQCQJFROOOQKTJ-UHFFFAOYSA-N
XLogP3.31
TPSA94.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(diethylamino)-3-pyridinyl]-1-[(1-ethylpyrazol-3-yl)methyl]benzimidazole-4-carboxamide?
The IUPAC name of 2-[6-(diethylamino)-3-pyridinyl]-1-[(1-ethylpyrazol-3-yl)methyl]benzimidazole-4-carboxamide (CID 138466124) is 2-[6-(diethylamino)-3-pyridinyl]-1-[(1-ethylpyrazol-3-yl)methyl]benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[6-(diethylamino)-3-pyridinyl]-1-[(1-ethylpyrazol-3-yl)methyl]benzimidazole-4-carboxamide?
The canonical SMILES for 2-[6-(diethylamino)-3-pyridinyl]-1-[(1-ethylpyrazol-3-yl)methyl]benzimidazole-4-carboxamide is CCN(CC)c1ccc(-c2nc3c(C(N)=O)cccc3n2Cc2ccn(CC)n2)cn1.
What is the InChIKey of 2-[6-(diethylamino)-3-pyridinyl]-1-[(1-ethylpyrazol-3-yl)methyl]benzimidazole-4-carboxamide?
The InChIKey is FQCQJFROOOQKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-4-28(5-2)20-11-10-16(14-25-20)23-26-21-18(22(24)31)8-7-9-19(21)30(23)15-17-12-13-29(6-3)27-17/h7-14H,4-6,15H2,1-3H3,(H2,24,31).
What are the key properties of 2-[6-(diethylamino)-3-pyridinyl]-1-[(1-ethylpyrazol-3-yl)methyl]benzimidazole-4-carboxamide?
2-[6-(diethylamino)-3-pyridinyl]-1-[(1-ethylpyrazol-3-yl)methyl]benzimidazole-4-carboxamide has a molecular weight of 417.52 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(diethylamino)-3-pyridinyl]-1-[(1-ethylpyrazol-3-yl)methyl]benzimidazole-4-carboxamide is sourced from PubChem (CID 138466124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).