4-hydroxy-N-[7-methoxy-4-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-yl]-4-methylpiperidine-1-carboxamide

C19H24N6O3 — CID 154589222

IUPAC4-hydroxy-N-[7-methoxy-4-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-yl]-4-methylpiperidine-1-carboxamide
SMILESCOc1ccc(-c2cnn(C)c2)c2nc(NC(=O)N3CCC(C)(O)CC3)[nH]c12
InChIInChI=1S/C19H24N6O3/c1-19(27)6-8-25(9-7-19)18(26)23-17-21-15-13(12-10-20-24(2)11-12)4-5-14(28-3)16(15)22-17/h4-5,10-11,27H,6-9H2,1-3H3,(H2,21,22,23,26)
InChIKeyHUNQAPHGXMIVBQ-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.35
Rot. Bonds3

About 4-hydroxy-N-[7-methoxy-4-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-yl]-4-methylpiperidine-1-carboxamide

4-hydroxy-N-[7-methoxy-4-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-yl]-4-methylpiperidine-1-carboxamide (PubChem CID 154589222) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-hydroxy-N-[7-methoxy-4-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-yl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[7-methoxy-4-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-yl]-4-methylpiperidine-1-carboxamide
PubChem CID154589222
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Name4-hydroxy-N-[7-methoxy-4-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-yl]-4-methylpiperidine-1-carboxamide
SMILESCOc1ccc(-c2cnn(C)c2)c2nc(NC(=O)N3CCC(C)(O)CC3)[nH]c12
InChIInChI=1S/C19H24N6O3/c1-19(27)6-8-25(9-7-19)18(26)23-17-21-15-13(12-10-20-24(2)11-12)4-5-14(28-3)16(15)22-17/h4-5,10-11,27H,6-9H2,1-3H3,(H2,21,22,23,26)
InChIKeyHUNQAPHGXMIVBQ-UHFFFAOYSA-N
XLogP2.35
TPSA108.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[7-methoxy-4-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-yl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of 4-hydroxy-N-[7-methoxy-4-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-yl]-4-methylpiperidine-1-carboxamide (CID 154589222) is 4-hydroxy-N-[7-methoxy-4-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-yl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[7-methoxy-4-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-yl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-[7-methoxy-4-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-yl]-4-methylpiperidine-1-carboxamide is COc1ccc(-c2cnn(C)c2)c2nc(NC(=O)N3CCC(C)(O)CC3)[nH]c12.
What is the InChIKey of 4-hydroxy-N-[7-methoxy-4-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-yl]-4-methylpiperidine-1-carboxamide?
The InChIKey is HUNQAPHGXMIVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-19(27)6-8-25(9-7-19)18(26)23-17-21-15-13(12-10-20-24(2)11-12)4-5-14(28-3)16(15)22-17/h4-5,10-11,27H,6-9H2,1-3H3,(H2,21,22,23,26).
What are the key properties of 4-hydroxy-N-[7-methoxy-4-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-yl]-4-methylpiperidine-1-carboxamide?
4-hydroxy-N-[7-methoxy-4-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-yl]-4-methylpiperidine-1-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 2.35, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[7-methoxy-4-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-yl]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 154589222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).