4-(3,5-dimethylpyrazol-1-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide

C21H21N5O — CID 27677632

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCc3nc4ccccc4n3C)cc2)n1
InChIInChI=1S/C21H21N5O/c1-14-12-15(2)26(24-14)17-10-8-16(9-11-17)21(27)22-13-20-23-18-6-4-5-7-19(18)25(20)3/h4-12H,13H2,1-3H3,(H,22,27)
InChIKeyKKXIUCXFGZGBOE-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.31
Rot. Bonds4

About 4-(3,5-dimethylpyrazol-1-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide

4-(3,5-dimethylpyrazol-1-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide (PubChem CID 27677632) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
PubChem CID27677632
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCc3nc4ccccc4n3C)cc2)n1
InChIInChI=1S/C21H21N5O/c1-14-12-15(2)26(24-14)17-10-8-16(9-11-17)21(27)22-13-20-23-18-6-4-5-7-19(18)25(20)3/h4-12H,13H2,1-3H3,(H,22,27)
InChIKeyKKXIUCXFGZGBOE-UHFFFAOYSA-N
XLogP3.31
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzoxazol-2-ylmethyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 70717506
3-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]benzoic acid
CID 75514350
4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 9112873
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)benzamide
CID 26365102
2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 134012176
4-(3,5-dimethylpyrazol-1-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide
CID 35991337
4-(3,5-dimethylpyrazol-1-yl)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 122135738
5-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide
CID 47161314
N-(3-aminobutyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 119499461
N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 136561565
4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 26251280
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 91823103

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide (CID 27677632) is 4-(3,5-dimethylpyrazol-1-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide is Cc1cc(C)n(-c2ccc(C(=O)NCc3nc4ccccc4n3C)cc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide?
The InChIKey is KKXIUCXFGZGBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-14-12-15(2)26(24-14)17-10-8-16(9-11-17)21(27)22-13-20-23-18-6-4-5-7-19(18)25(20)3/h4-12H,13H2,1-3H3,(H,22,27).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide has a molecular weight of 359.43 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 27677632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).