N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[(2-methoxyacetyl)amino]-3-(2-phenylethyl)benzimidazole-4-carboxamide

C25H28N6O3 — CID 26276093

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[(2-methoxyacetyl)amino]-3-(2-phenylethyl)benzimidazole-4-carboxamide
SMILESCOCC(=O)Nc1cc(C(=O)NCc2c(C)n[nH]c2C)c2c(c1)ncn2CCc1ccccc1
InChIInChI=1S/C25H28N6O3/c1-16-21(17(2)30-29-16)13-26-25(33)20-11-19(28-23(32)14-34-3)12-22-24(20)31(15-27-22)10-9-18-7-5-4-6-8-18/h4-8,11-12,15H,9-10,13-14H2,1-3H3,(H,26,33)(H,28,32)(H,29,30)
InChIKeyMSNMFTCYDLSVHC-UHFFFAOYSA-N
MW460.54 g/mol
LogP3.13
Rot. Bonds9

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[(2-methoxyacetyl)amino]-3-(2-phenylethyl)benzimidazole-4-carboxamide

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[(2-methoxyacetyl)amino]-3-(2-phenylethyl)benzimidazole-4-carboxamide (PubChem CID 26276093) has the molecular formula C25H28N6O3 and a molecular weight of 460.54 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[(2-methoxyacetyl)amino]-3-(2-phenylethyl)benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[(2-methoxyacetyl)amino]-3-(2-phenylethyl)benzimidazole-4-carboxamide
PubChem CID26276093
Molecular FormulaC25H28N6O3
Molecular Weight460.54 g/mol
Exact Mass460.22
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[(2-methoxyacetyl)amino]-3-(2-phenylethyl)benzimidazole-4-carboxamide
SMILESCOCC(=O)Nc1cc(C(=O)NCc2c(C)n[nH]c2C)c2c(c1)ncn2CCc1ccccc1
InChIInChI=1S/C25H28N6O3/c1-16-21(17(2)30-29-16)13-26-25(33)20-11-19(28-23(32)14-34-3)12-22-24(20)31(15-27-22)10-9-18-7-5-4-6-8-18/h4-8,11-12,15H,9-10,13-14H2,1-3H3,(H,26,33)(H,28,32)(H,29,30)
InChIKeyMSNMFTCYDLSVHC-UHFFFAOYSA-N
XLogP3.13
TPSA113.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2-methoxyacetyl)amino]-3-(2-phenylethyl)-N-(2-pyridin-3-yloxypropyl)benzimidazole-4-carboxamide
CID 45183711
N-benzyl-N-ethyl-3-[(4-fluorophenyl)methyl]-6-[(2-methoxyacetyl)amino]benzimidazole-4-carboxamide
CID 42171566
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylacetamide
CID 110442349
3-[(4-fluorophenyl)methyl]-6-[(2-methoxyacetyl)amino]-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzimidazole-4-carboxamide
CID 42432065
7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)-N-(2-pyrazin-2-ylethyl)benzimidazole-5-carboxamide
CID 42431979
N-cycloheptyl-3-[(4-fluorophenyl)methyl]-6-[(2-methoxyacetyl)amino]benzimidazole-4-carboxamide
CID 42170685
7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)-N-(3-pyridin-3-ylpropyl)benzimidazole-5-carboxamide
CID 42482087
N-[(4-chlorophenyl)methyl]-6-(cyclohexanecarbonylamino)-3-(2-methoxyethyl)benzimidazole-4-carboxamide
CID 42484927
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethoxy)benzamide
CID 75515842
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)benzimidazole-5-carboxamide
CID 25291269
7-[(2-methoxyacetyl)amino]-N-[(5-oxopyrrolidin-2-yl)methyl]-1-(2-phenylethyl)-N-propan-2-ylbenzimidazole-5-carboxamide
CID 45175032
N-[(2,4-difluorophenyl)methyl]-6-[(2-methoxyacetyl)amino]-3-methyl-2-pyridin-4-ylbenzimidazole-4-carboxamide
CID 42164948

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[(2-methoxyacetyl)amino]-3-(2-phenylethyl)benzimidazole-4-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[(2-methoxyacetyl)amino]-3-(2-phenylethyl)benzimidazole-4-carboxamide (CID 26276093) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[(2-methoxyacetyl)amino]-3-(2-phenylethyl)benzimidazole-4-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[(2-methoxyacetyl)amino]-3-(2-phenylethyl)benzimidazole-4-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[(2-methoxyacetyl)amino]-3-(2-phenylethyl)benzimidazole-4-carboxamide is COCC(=O)Nc1cc(C(=O)NCc2c(C)n[nH]c2C)c2c(c1)ncn2CCc1ccccc1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[(2-methoxyacetyl)amino]-3-(2-phenylethyl)benzimidazole-4-carboxamide?
The InChIKey is MSNMFTCYDLSVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3/c1-16-21(17(2)30-29-16)13-26-25(33)20-11-19(28-23(32)14-34-3)12-22-24(20)31(15-27-22)10-9-18-7-5-4-6-8-18/h4-8,11-12,15H,9-10,13-14H2,1-3H3,(H,26,33)(H,28,32)(H,29,30).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[(2-methoxyacetyl)amino]-3-(2-phenylethyl)benzimidazole-4-carboxamide?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[(2-methoxyacetyl)amino]-3-(2-phenylethyl)benzimidazole-4-carboxamide has a molecular weight of 460.54 g/mol, XLogP of 3.13, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[(2-methoxyacetyl)amino]-3-(2-phenylethyl)benzimidazole-4-carboxamide is sourced from PubChem (CID 26276093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).