2-[5-[4-(hydroxymethyl)phenyl]-4-methoxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide

C20H19N5O3 — CID 135988662

IUPAC2-[5-[4-(hydroxymethyl)phenyl]-4-methoxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide
SMILESCOc1c(-c2ccc(CO)cc2)nn(C)c1-c1nc2ccc(C(N)=O)cc2[nH]1
InChIInChI=1S/C20H19N5O3/c1-25-17(20-22-14-8-7-13(19(21)27)9-15(14)23-20)18(28-2)16(24-25)12-5-3-11(10-26)4-6-12/h3-9,26H,10H2,1-2H3,(H2,21,27)(H,22,23)
InChIKeyOYIVDNWHBBTKTE-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.23
Rot. Bonds5

About 2-[5-[4-(hydroxymethyl)phenyl]-4-methoxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide

2-[5-[4-(hydroxymethyl)phenyl]-4-methoxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide (PubChem CID 135988662) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-[5-[4-(hydroxymethyl)phenyl]-4-methoxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[5-[4-(hydroxymethyl)phenyl]-4-methoxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide
PubChem CID135988662
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name2-[5-[4-(hydroxymethyl)phenyl]-4-methoxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide
SMILESCOc1c(-c2ccc(CO)cc2)nn(C)c1-c1nc2ccc(C(N)=O)cc2[nH]1
InChIInChI=1S/C20H19N5O3/c1-25-17(20-22-14-8-7-13(19(21)27)9-15(14)23-20)18(28-2)16(24-25)12-5-3-11(10-26)4-6-12/h3-9,26H,10H2,1-2H3,(H2,21,27)(H,22,23)
InChIKeyOYIVDNWHBBTKTE-UHFFFAOYSA-N
XLogP2.23
TPSA119.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(hydroxymethyl)phenyl]-4-methoxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[5-[4-(hydroxymethyl)phenyl]-4-methoxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide (CID 135988662) is 2-[5-[4-(hydroxymethyl)phenyl]-4-methoxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[5-[4-(hydroxymethyl)phenyl]-4-methoxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[5-[4-(hydroxymethyl)phenyl]-4-methoxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide is COc1c(-c2ccc(CO)cc2)nn(C)c1-c1nc2ccc(C(N)=O)cc2[nH]1.
What is the InChIKey of 2-[5-[4-(hydroxymethyl)phenyl]-4-methoxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide?
The InChIKey is OYIVDNWHBBTKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-25-17(20-22-14-8-7-13(19(21)27)9-15(14)23-20)18(28-2)16(24-25)12-5-3-11(10-26)4-6-12/h3-9,26H,10H2,1-2H3,(H2,21,27)(H,22,23).
What are the key properties of 2-[5-[4-(hydroxymethyl)phenyl]-4-methoxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide?
2-[5-[4-(hydroxymethyl)phenyl]-4-methoxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(hydroxymethyl)phenyl]-4-methoxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 135988662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).