2-[4-(1-methylpyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide

C18H15N5O — CID 44541919

IUPAC2-[4-(1-methylpyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESCn1ccc(-c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)n1
InChIInChI=1S/C18H15N5O/c1-23-10-9-14(22-23)11-5-7-12(8-6-11)18-20-15-4-2-3-13(17(19)24)16(15)21-18/h2-10H,1H3,(H2,19,24)(H,20,21)
InChIKeyNVDWIICXGMDHNM-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.73
Rot. Bonds3

About 2-[4-(1-methylpyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide

2-[4-(1-methylpyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide (PubChem CID 44541919) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-[4-(1-methylpyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-(1-methylpyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide
PubChem CID44541919
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name2-[4-(1-methylpyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESCn1ccc(-c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)n1
InChIInChI=1S/C18H15N5O/c1-23-10-9-14(22-23)11-5-7-12(8-6-11)18-20-15-4-2-3-13(17(19)24)16(15)21-18/h2-10H,1H3,(H2,19,24)(H,20,21)
InChIKeyNVDWIICXGMDHNM-UHFFFAOYSA-N
XLogP2.73
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylpyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[4-(1-methylpyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide (CID 44541919) is 2-[4-(1-methylpyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[4-(1-methylpyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[4-(1-methylpyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide is Cn1ccc(-c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)n1.
What is the InChIKey of 2-[4-(1-methylpyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is NVDWIICXGMDHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-23-10-9-14(22-23)11-5-7-12(8-6-11)18-20-15-4-2-3-13(17(19)24)16(15)21-18/h2-10H,1H3,(H2,19,24)(H,20,21).
What are the key properties of 2-[4-(1-methylpyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide?
2-[4-(1-methylpyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylpyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 44541919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).