1-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;3-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide

C44H44N8O4 — CID 143827995

IUPAC1-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;3-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide
SMILESCCC(NC(=O)c1ccc2c(c1)ncn2Cc1cc(C)on1)c1ccccc1.CCC(NC(=O)c1ccc2ncn(Cc3cc(C)on3)c2c1)c1ccccc1
InChIInChI=1S/2C22H22N4O2/c1-3-19(16-7-5-4-6-8-16)24-22(27)17-9-10-21-20(12-17)23-14-26(21)13-18-11-15(2)28-25-18;1-3-19(16-7-5-4-6-8-16)24-22(27)17-9-10-20-21(12-17)26(14-23-20)13-18-11-15(2)28-25-18/h2*4-12,14,19H,3,13H2,1-2H3,(H,24,27)
InChIKeyIVWZIZWGKKFGDT-UHFFFAOYSA-N
MW748.89 g/mol
LogP8.52
Rot. Bonds12

About 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;3-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide

1-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;3-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide (PubChem CID 143827995) has the molecular formula C44H44N8O4 and a molecular weight of 748.89 g/mol. Its IUPAC name is 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;3-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;3-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide
PubChem CID143827995
Molecular FormulaC44H44N8O4
Molecular Weight748.89 g/mol
Exact Mass748.35
IUPAC Name1-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;3-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide
SMILESCCC(NC(=O)c1ccc2c(c1)ncn2Cc1cc(C)on1)c1ccccc1.CCC(NC(=O)c1ccc2ncn(Cc3cc(C)on3)c2c1)c1ccccc1
InChIInChI=1S/2C22H22N4O2/c1-3-19(16-7-5-4-6-8-16)24-22(27)17-9-10-21-20(12-17)23-14-26(21)13-18-11-15(2)28-25-18;1-3-19(16-7-5-4-6-8-16)24-22(27)17-9-10-20-21(12-17)26(14-23-20)13-18-11-15(2)28-25-18/h2*4-12,14,19H,3,13H2,1-2H3,(H,24,27)
InChIKeyIVWZIZWGKKFGDT-UHFFFAOYSA-N
XLogP8.52
TPSA145.90 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.89
LogP ≤ 58.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

5-cyclopropyl-N-((2R,4R)-2-methyl-1-(1-methyl-1H-benzo[d]imidazole-5-carbonyl)piperidin-4-yl)isoxazole-3-carboxamide
CID 132248487
US20250346592, Example 100
CID 177774057
US20250346592, Example 97
CID 177774135
US20250346592, Example 98
CID 177774186
N-((2R,4R)-1-(1H-benzo[d]imidazole-5-carbonyl)-2-methylpiperidin-4-yl)-5-cyclopropylisoxazole-3-carboxamide
CID 132248221
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3H-benzimidazole-5-carboxamide
CID 40151582
5-(1H-benzimidazol-1-ylmethyl)-N-(2-phenylethyl)-3-isoxazolecarboxamide
CID 42532895
(5S)-1-(3,4-difluorophenyl)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-pyrrolidin-3-yl]benzimidazol-2-yl]pyrrolidin-2-one
CID 134457279
(5S)-1-(3,4-difluorophenyl)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-pyrrolidin-3-yl]benzimidazol-2-yl]pyrrolidin-2-one
CID 134457292
(5S)-5-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]pyrrolidin-2-one
CID 134457309
(5S)-5-[1-[(4,4-difluorocyclohexyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]pyrrolidin-2-one
CID 134457320
N-(2-aminoethyl)-2-[4-[2-[(2S)-1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]cyclohexyl]acetamide
CID 134457379

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;3-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide?
The IUPAC name of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;3-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide (CID 143827995) is 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;3-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;3-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide?
The canonical SMILES for 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;3-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide is CCC(NC(=O)c1ccc2c(c1)ncn2Cc1cc(C)on1)c1ccccc1.CCC(NC(=O)c1ccc2ncn(Cc3cc(C)on3)c2c1)c1ccccc1.
What is the InChIKey of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;3-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide?
The InChIKey is IVWZIZWGKKFGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H22N4O2/c1-3-19(16-7-5-4-6-8-16)24-22(27)17-9-10-21-20(12-17)23-14-26(21)13-18-11-15(2)28-25-18;1-3-19(16-7-5-4-6-8-16)24-22(27)17-9-10-20-21(12-17)26(14-23-20)13-18-11-15(2)28-25-18/h2*4-12,14,19H,3,13H2,1-2H3,(H,24,27).
What are the key properties of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;3-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide?
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;3-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide has a molecular weight of 748.89 g/mol, XLogP of 8.52, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;3-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 143827995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).