N-(3-ethyl-1-phenylindazol-6-yl)-3H-benzimidazole-5-carboxamide

C23H19N5O — CID 56663312

IUPACN-(3-ethyl-1-phenylindazol-6-yl)-3H-benzimidazole-5-carboxamide
SMILESCCc1nn(-c2ccccc2)c2cc(NC(=O)c3ccc4nc[nH]c4c3)ccc12
InChIInChI=1S/C23H19N5O/c1-2-19-18-10-9-16(13-22(18)28(27-19)17-6-4-3-5-7-17)26-23(29)15-8-11-20-21(12-15)25-14-24-20/h3-14H,2H2,1H3,(H,24,25)(H,26,29)
InChIKeyYCMJMIYGGKQKMY-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.72
Rot. Bonds4

About N-(3-ethyl-1-phenylindazol-6-yl)-3H-benzimidazole-5-carboxamide

N-(3-ethyl-1-phenylindazol-6-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 56663312) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is N-(3-ethyl-1-phenylindazol-6-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-1-phenylindazol-6-yl)-3H-benzimidazole-5-carboxamide
PubChem CID56663312
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC NameN-(3-ethyl-1-phenylindazol-6-yl)-3H-benzimidazole-5-carboxamide
SMILESCCc1nn(-c2ccccc2)c2cc(NC(=O)c3ccc4nc[nH]c4c3)ccc12
InChIInChI=1S/C23H19N5O/c1-2-19-18-10-9-16(13-22(18)28(27-19)17-6-4-3-5-7-17)26-23(29)15-8-11-20-21(12-15)25-14-24-20/h3-14H,2H2,1H3,(H,24,25)(H,26,29)
InChIKeyYCMJMIYGGKQKMY-UHFFFAOYSA-N
XLogP4.72
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1-phenylindazol-6-yl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(3-ethyl-1-phenylindazol-6-yl)-3H-benzimidazole-5-carboxamide (CID 56663312) is N-(3-ethyl-1-phenylindazol-6-yl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(3-ethyl-1-phenylindazol-6-yl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(3-ethyl-1-phenylindazol-6-yl)-3H-benzimidazole-5-carboxamide is CCc1nn(-c2ccccc2)c2cc(NC(=O)c3ccc4nc[nH]c4c3)ccc12.
What is the InChIKey of N-(3-ethyl-1-phenylindazol-6-yl)-3H-benzimidazole-5-carboxamide?
The InChIKey is YCMJMIYGGKQKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O/c1-2-19-18-10-9-16(13-22(18)28(27-19)17-6-4-3-5-7-17)26-23(29)15-8-11-20-21(12-15)25-14-24-20/h3-14H,2H2,1H3,(H,24,25)(H,26,29).
What are the key properties of N-(3-ethyl-1-phenylindazol-6-yl)-3H-benzimidazole-5-carboxamide?
N-(3-ethyl-1-phenylindazol-6-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1-phenylindazol-6-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 56663312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).