N-(1H-benzimidazol-2-ylmethyl)-3-(4-tert-butylphenyl)propanamide

C21H25N3O — CID 18105142

IUPACN-(1H-benzimidazol-2-ylmethyl)-3-(4-tert-butylphenyl)propanamide
SMILESCC(C)(C)c1ccc(CCC(=O)NCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C21H25N3O/c1-21(2,3)16-11-8-15(9-12-16)10-13-20(25)22-14-19-23-17-6-4-5-7-18(17)24-19/h4-9,11-12H,10,13-14H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyUSFGEYNGJXWFOM-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.11
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-3-(4-tert-butylphenyl)propanamide

N-(1H-benzimidazol-2-ylmethyl)-3-(4-tert-butylphenyl)propanamide (PubChem CID 18105142) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-3-(4-tert-butylphenyl)propanamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-3-(4-tert-butylphenyl)propanamide
PubChem CID18105142
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-3-(4-tert-butylphenyl)propanamide
SMILESCC(C)(C)c1ccc(CCC(=O)NCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C21H25N3O/c1-21(2,3)16-11-8-15(9-12-16)10-13-20(25)22-14-19-23-17-6-4-5-7-18(17)24-19/h4-9,11-12H,10,13-14H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyUSFGEYNGJXWFOM-UHFFFAOYSA-N
XLogP4.11
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-2-(4-hydroxyphenyl)acetamide
CID 47008572
N-(1H-benzimidazol-2-ylmethyl)-3-(2-methoxyphenyl)propanamide
CID 18105005
N-(1H-benzimidazol-2-ylmethyl)-4-[[4-(1H-benzimidazol-2-ylmethylamino)-4-oxobutyl]disulfanyl]butanamide
CID 118554955
N-(1,3-benzothiazol-2-ylmethyl)-3-(4-tert-butylphenyl)propanamide
CID 24543254
N-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide
CID 58957158
ethyl 4-(1H-benzimidazol-2-ylmethylamino)-4-oxobutanoate
CID 78910859
3-(1H-benzimidazol-2-yl)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide
CID 17473012
3-[3-(1H-benzimidazol-2-yl)propanoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66172764
N-(1H-benzimidazol-2-ylmethyl)-4-thiophen-2-ylbutanamide
CID 17406287
3-(1H-benzimidazol-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide
CID 83031876
N-(1H-benzimidazol-2-ylmethyl)-4-tert-butylbenzenesulfonamide
CID 110711606
N-(1H-benzimidazol-2-ylmethyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 18105244

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3-(4-tert-butylphenyl)propanamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3-(4-tert-butylphenyl)propanamide (CID 18105142) is N-(1H-benzimidazol-2-ylmethyl)-3-(4-tert-butylphenyl)propanamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-3-(4-tert-butylphenyl)propanamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-3-(4-tert-butylphenyl)propanamide is CC(C)(C)c1ccc(CCC(=O)NCc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-3-(4-tert-butylphenyl)propanamide?
The InChIKey is USFGEYNGJXWFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-21(2,3)16-11-8-15(9-12-16)10-13-20(25)22-14-19-23-17-6-4-5-7-18(17)24-19/h4-9,11-12H,10,13-14H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-3-(4-tert-butylphenyl)propanamide?
N-(1H-benzimidazol-2-ylmethyl)-3-(4-tert-butylphenyl)propanamide has a molecular weight of 335.45 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-3-(4-tert-butylphenyl)propanamide is sourced from PubChem (CID 18105142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).