N-[4-(3,6-dihydro-2H-pyran-4-yl)-7-methoxy-1H-benzimidazol-2-yl]-1-methylpyrazole-4-carboxamide

C18H19N5O3 — CID 154589244

IUPACN-[4-(3,6-dihydro-2H-pyran-4-yl)-7-methoxy-1H-benzimidazol-2-yl]-1-methylpyrazole-4-carboxamide
SMILESCOc1ccc(C2=CCOCC2)c2nc(NC(=O)c3cnn(C)c3)[nH]c12
InChIInChI=1S/C18H19N5O3/c1-23-10-12(9-19-23)17(24)22-18-20-15-13(11-5-7-26-8-6-11)3-4-14(25-2)16(15)21-18/h3-5,9-10H,6-8H2,1-2H3,(H2,20,21,22,24)
InChIKeyKENRFGMLQUOYIW-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.36
Rot. Bonds4

About N-[4-(3,6-dihydro-2H-pyran-4-yl)-7-methoxy-1H-benzimidazol-2-yl]-1-methylpyrazole-4-carboxamide

N-[4-(3,6-dihydro-2H-pyran-4-yl)-7-methoxy-1H-benzimidazol-2-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 154589244) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[4-(3,6-dihydro-2H-pyran-4-yl)-7-methoxy-1H-benzimidazol-2-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3,6-dihydro-2H-pyran-4-yl)-7-methoxy-1H-benzimidazol-2-yl]-1-methylpyrazole-4-carboxamide
PubChem CID154589244
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC NameN-[4-(3,6-dihydro-2H-pyran-4-yl)-7-methoxy-1H-benzimidazol-2-yl]-1-methylpyrazole-4-carboxamide
SMILESCOc1ccc(C2=CCOCC2)c2nc(NC(=O)c3cnn(C)c3)[nH]c12
InChIInChI=1S/C18H19N5O3/c1-23-10-12(9-19-23)17(24)22-18-20-15-13(11-5-7-26-8-6-11)3-4-14(25-2)16(15)21-18/h3-5,9-10H,6-8H2,1-2H3,(H2,20,21,22,24)
InChIKeyKENRFGMLQUOYIW-UHFFFAOYSA-N
XLogP2.36
TPSA94.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[7-methoxy-4-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-yl]pyridine-4-carboxamide
CID 175795176
4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenyl)-7-methoxy-1H-benzimidazol-2-yl]benzamide
CID 154589282
4-acetamido-N-[7-methoxy-4-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-yl]but-2-ynamide
CID 154589238
4-N-(7-methoxy-4-phenyl-1H-benzimidazol-2-yl)benzene-1,4-dicarboxamide
CID 154973261
4-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-N-(2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide
CID 164738799
N-(4-amino-2-methoxyphenyl)-1-methylpyrazole-4-carboxamide
CID 28742335
N-(7-methoxy-4-phenyl-1H-benzimidazol-2-yl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 154589239
2-(2-ethoxyethylamino)-N-(7-methoxy-4-morpholin-4-yl-1H-benzimidazol-2-yl)pyridine-4-carboxamide
CID 154973422
3-amino-N-[7-methoxy-4-(oxan-4-yl)-1H-benzimidazol-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 142533421
N-[7-(2-fluorocyclohexa-1,3-dien-1-yl)-4-methoxy-3H-indol-2-yl]-1-methylpyrazole-4-carboxamide
CID 158058342
1-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1,4-dicarboxamide
CID 164738811
4-(2,5-dihydrofuran-3-yl)-7-methoxy-1H-benzimidazole
CID 175786205

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,6-dihydro-2H-pyran-4-yl)-7-methoxy-1H-benzimidazol-2-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(3,6-dihydro-2H-pyran-4-yl)-7-methoxy-1H-benzimidazol-2-yl]-1-methylpyrazole-4-carboxamide (CID 154589244) is N-[4-(3,6-dihydro-2H-pyran-4-yl)-7-methoxy-1H-benzimidazol-2-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(3,6-dihydro-2H-pyran-4-yl)-7-methoxy-1H-benzimidazol-2-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(3,6-dihydro-2H-pyran-4-yl)-7-methoxy-1H-benzimidazol-2-yl]-1-methylpyrazole-4-carboxamide is COc1ccc(C2=CCOCC2)c2nc(NC(=O)c3cnn(C)c3)[nH]c12.
What is the InChIKey of N-[4-(3,6-dihydro-2H-pyran-4-yl)-7-methoxy-1H-benzimidazol-2-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is KENRFGMLQUOYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-23-10-12(9-19-23)17(24)22-18-20-15-13(11-5-7-26-8-6-11)3-4-14(25-2)16(15)21-18/h3-5,9-10H,6-8H2,1-2H3,(H2,20,21,22,24).
What are the key properties of N-[4-(3,6-dihydro-2H-pyran-4-yl)-7-methoxy-1H-benzimidazol-2-yl]-1-methylpyrazole-4-carboxamide?
N-[4-(3,6-dihydro-2H-pyran-4-yl)-7-methoxy-1H-benzimidazol-2-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,6-dihydro-2H-pyran-4-yl)-7-methoxy-1H-benzimidazol-2-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 154589244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).