N-methyl-2-phenyl-6-(1H-pyrazole-5-carbonylamino)-3H-benzimidazole-5-carboxamide

C19H16N6O2 — CID 165415128

IUPACN-methyl-2-phenyl-6-(1H-pyrazole-5-carbonylamino)-3H-benzimidazole-5-carboxamide
SMILESCNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1ccn[nH]1
InChIInChI=1S/C19H16N6O2/c1-20-18(26)12-9-15-16(23-17(22-15)11-5-3-2-4-6-11)10-14(12)24-19(27)13-7-8-21-25-13/h2-10H,1H3,(H,20,26)(H,21,25)(H,22,23)(H,24,27)
InChIKeyLXEAPDIDQZCBBE-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.56
Rot. Bonds4

About N-methyl-2-phenyl-6-(1H-pyrazole-5-carbonylamino)-3H-benzimidazole-5-carboxamide

N-methyl-2-phenyl-6-(1H-pyrazole-5-carbonylamino)-3H-benzimidazole-5-carboxamide (PubChem CID 165415128) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is N-methyl-2-phenyl-6-(1H-pyrazole-5-carbonylamino)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-phenyl-6-(1H-pyrazole-5-carbonylamino)-3H-benzimidazole-5-carboxamide
PubChem CID165415128
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC NameN-methyl-2-phenyl-6-(1H-pyrazole-5-carbonylamino)-3H-benzimidazole-5-carboxamide
SMILESCNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1ccn[nH]1
InChIInChI=1S/C19H16N6O2/c1-20-18(26)12-9-15-16(23-17(22-15)11-5-3-2-4-6-11)10-14(12)24-19(27)13-7-8-21-25-13/h2-10H,1H3,(H,20,26)(H,21,25)(H,22,23)(H,24,27)
InChIKeyLXEAPDIDQZCBBE-UHFFFAOYSA-N
XLogP2.56
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-6-(1H-pyrazole-5-carbonylamino)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-methyl-2-phenyl-6-(1H-pyrazole-5-carbonylamino)-3H-benzimidazole-5-carboxamide (CID 165415128) is N-methyl-2-phenyl-6-(1H-pyrazole-5-carbonylamino)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-methyl-2-phenyl-6-(1H-pyrazole-5-carbonylamino)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-methyl-2-phenyl-6-(1H-pyrazole-5-carbonylamino)-3H-benzimidazole-5-carboxamide is CNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1ccn[nH]1.
What is the InChIKey of N-methyl-2-phenyl-6-(1H-pyrazole-5-carbonylamino)-3H-benzimidazole-5-carboxamide?
The InChIKey is LXEAPDIDQZCBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c1-20-18(26)12-9-15-16(23-17(22-15)11-5-3-2-4-6-11)10-14(12)24-19(27)13-7-8-21-25-13/h2-10H,1H3,(H,20,26)(H,21,25)(H,22,23)(H,24,27).
What are the key properties of N-methyl-2-phenyl-6-(1H-pyrazole-5-carbonylamino)-3H-benzimidazole-5-carboxamide?
N-methyl-2-phenyl-6-(1H-pyrazole-5-carbonylamino)-3H-benzimidazole-5-carboxamide has a molecular weight of 360.38 g/mol, XLogP of 2.56, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-6-(1H-pyrazole-5-carbonylamino)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 165415128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).