N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-benzimidazole-2-carboxamide

C19H17N5O2 — CID 117078729

IUPACN-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-benzimidazole-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc3ccc(-c4cn[nH]c4)cc3[nH]2)c1
InChIInChI=1S/C19H17N5O2/c1-26-15-4-2-3-12(7-15)9-20-19(25)18-23-16-6-5-13(8-17(16)24-18)14-10-21-22-11-14/h2-8,10-11H,9H2,1H3,(H,20,25)(H,21,22)(H,23,24)
InChIKeyWXCIYGDFFVRMTI-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.89
Rot. Bonds5

About N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-benzimidazole-2-carboxamide

N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-benzimidazole-2-carboxamide (PubChem CID 117078729) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-benzimidazole-2-carboxamide
PubChem CID117078729
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC NameN-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-benzimidazole-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc3ccc(-c4cn[nH]c4)cc3[nH]2)c1
InChIInChI=1S/C19H17N5O2/c1-26-15-4-2-3-12(7-15)9-20-19(25)18-23-16-6-5-13(8-17(16)24-18)14-10-21-22-11-14/h2-8,10-11H,9H2,1H3,(H,20,25)(H,21,22)(H,23,24)
InChIKeyWXCIYGDFFVRMTI-UHFFFAOYSA-N
XLogP2.89
TPSA95.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-benzimidazole-2-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-benzimidazole-2-carboxamide (CID 117078729) is N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-benzimidazole-2-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-benzimidazole-2-carboxamide is COc1cccc(CNC(=O)c2nc3ccc(-c4cn[nH]c4)cc3[nH]2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-benzimidazole-2-carboxamide?
The InChIKey is WXCIYGDFFVRMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-26-15-4-2-3-12(7-15)9-20-19(25)18-23-16-6-5-13(8-17(16)24-18)14-10-21-22-11-14/h2-8,10-11H,9H2,1H3,(H,20,25)(H,21,22)(H,23,24).
What are the key properties of N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-benzimidazole-2-carboxamide?
N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-benzimidazole-2-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 117078729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).