N-(1H-indazol-6-yl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide

C18H17N5O — CID 110765672

IUPACN-(1H-indazol-6-yl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide
SMILESCC(C)c1nc2ccc(C(=O)Nc3ccc4cn[nH]c4c3)cc2[nH]1
InChIInChI=1S/C18H17N5O/c1-10(2)17-21-14-6-4-11(7-16(14)22-17)18(24)20-13-5-3-12-9-19-23-15(12)8-13/h3-10H,1-2H3,(H,19,23)(H,20,24)(H,21,22)
InChIKeyVVTHPGRXQPXUQW-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.81
Rot. Bonds3

About N-(1H-indazol-6-yl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide

N-(1H-indazol-6-yl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide (PubChem CID 110765672) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide
PubChem CID110765672
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC NameN-(1H-indazol-6-yl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide
SMILESCC(C)c1nc2ccc(C(=O)Nc3ccc4cn[nH]c4c3)cc2[nH]1
InChIInChI=1S/C18H17N5O/c1-10(2)17-21-14-6-4-11(7-16(14)22-17)18(24)20-13-5-3-12-9-19-23-15(12)8-13/h3-10H,1-2H3,(H,19,23)(H,20,24)(H,21,22)
InChIKeyVVTHPGRXQPXUQW-UHFFFAOYSA-N
XLogP3.81
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 110765669
N-[2-(2-propan-2-ylanilino)-3H-benzimidazol-5-yl]-1H-indazole-6-carboxamide
CID 59522562
N-(3-propan-2-ylphenyl)-1H-indazole-6-carboxamide
CID 60715255
N-(1H-indazol-6-yl)-2H-benzotriazole-5-carboxamide
CID 36561248
methyl 4-(1H-indazol-6-ylcarbamoyl)benzoate
CID 121088219
N-(1H-indazol-6-yl)-3,5-dimethylbenzamide
CID 36560760
4-bromo-N-(1H-indazol-6-yl)-3-methylbenzamide
CID 115769574
3,4-difluoro-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]benzamide
CID 131952585
N-(2-propan-2-yl-3H-benzimidazol-5-yl)pyrazine-2-carboxamide
CID 110793209
N-naphthalen-2-yl-1H-indazole-5-carboxamide
CID 69422881
N-(3-ethylphenyl)-1H-indazole-6-carboxamide
CID 60715268
N-(3,5-dichlorophenyl)-1H-indazole-6-carboxamide
CID 60714993

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(1H-indazol-6-yl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide (CID 110765672) is N-(1H-indazol-6-yl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(1H-indazol-6-yl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide is CC(C)c1nc2ccc(C(=O)Nc3ccc4cn[nH]c4c3)cc2[nH]1.
What is the InChIKey of N-(1H-indazol-6-yl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide?
The InChIKey is VVTHPGRXQPXUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-10(2)17-21-14-6-4-11(7-16(14)22-17)18(24)20-13-5-3-12-9-19-23-15(12)8-13/h3-10H,1-2H3,(H,19,23)(H,20,24)(H,21,22).
What are the key properties of N-(1H-indazol-6-yl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide?
N-(1H-indazol-6-yl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 3.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 110765672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).