N,5-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide

C22H24N6O — CID 155949090

IUPACN,5-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1nc2ccc(N(C)C(=O)c3nc(C)n(-c4ccccc4C(C)C)n3)cc2[nH]1
InChIInChI=1S/C22H24N6O/c1-13(2)17-8-6-7-9-20(17)28-15(4)25-21(26-28)22(29)27(5)16-10-11-18-19(12-16)24-14(3)23-18/h6-13H,1-5H3,(H,23,24)
InChIKeyMIPKPRVPYFAWQZ-UHFFFAOYSA-N
MW388.48 g/mol
LogP4.16
Rot. Bonds4

About N,5-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide

N,5-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 155949090) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is N,5-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
PubChem CID155949090
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC NameN,5-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1nc2ccc(N(C)C(=O)c3nc(C)n(-c4ccccc4C(C)C)n3)cc2[nH]1
InChIInChI=1S/C22H24N6O/c1-13(2)17-8-6-7-9-20(17)28-15(4)25-21(26-28)22(29)27(5)16-10-11-18-19(12-16)24-14(3)23-18/h6-13H,1-5H3,(H,23,24)
InChIKeyMIPKPRVPYFAWQZ-UHFFFAOYSA-N
XLogP4.16
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]amino]acetic acid
CID 119172044
N-(1-aminopropan-2-yl)-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
CID 119582229
N-[(1S)-1-cyclopropylethyl]-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
CID 94821507
N,1-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)-3-phenylpyrazole-5-carboxamide
CID 166339220
N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 110866873
2-[[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]amino]acetic acid
CID 119171359
2,2,2-trifluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 115190207
2-[cyclopropyl-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]amino]acetic acid
CID 119194888
2-[methyl-(2-methyl-3H-benzimidazol-5-yl)amino]-2-oxoacetic acid
CID 115141265
3,4-difluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)benzamide
CID 110869413
2-amino-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 82493565
2-chloro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 115161938

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of N,5-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide (CID 155949090) is N,5-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N,5-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide is Cc1nc2ccc(N(C)C(=O)c3nc(C)n(-c4ccccc4C(C)C)n3)cc2[nH]1.
What is the InChIKey of N,5-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is MIPKPRVPYFAWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-13(2)17-8-6-7-9-20(17)28-15(4)25-21(26-28)22(29)27(5)16-10-11-18-19(12-16)24-14(3)23-18/h6-13H,1-5H3,(H,23,24).
What are the key properties of N,5-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide?
N,5-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 388.48 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 155949090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).