N-[(4-tert-butylphenyl)methyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

C21H25N3O2 — CID 25222413

IUPACN-[(4-tert-butylphenyl)methyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
SMILESCC(C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C21H25N3O2/c1-13(15-7-10-17-18(11-15)24-20(26)23-17)19(25)22-12-14-5-8-16(9-6-14)21(2,3)4/h5-11,13H,12H2,1-4H3,(H,22,25)(H2,23,24,26)
InChIKeyGVFPXJZLBSNTJY-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.57
Rot. Bonds4

About N-[(4-tert-butylphenyl)methyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

N-[(4-tert-butylphenyl)methyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (PubChem CID 25222413) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
PubChem CID25222413
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[(4-tert-butylphenyl)methyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
SMILESCC(C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C21H25N3O2/c1-13(15-7-10-17-18(11-15)24-20(26)23-17)19(25)22-12-14-5-8-16(9-6-14)21(2,3)4/h5-11,13H,12H2,1-4H3,(H,22,25)(H2,23,24,26)
InChIKeyGVFPXJZLBSNTJY-UHFFFAOYSA-N
XLogP3.57
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 25222516
2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide
CID 116843911
N-[(4-tert-butylphenyl)methyl]-2-[4-(methanesulfonamido)-3-methoxyphenyl]propanamide
CID 11384576
N-[(4-tert-butylphenyl)methyl]-2,2-diphenylacetamide
CID 2225639
2-methyl-2-(methylamino)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
CID 115165741
2-bromo-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide
CID 114327723
N-[(4-tert-butylphenyl)methyl]-2-[4-[ethyl(methylsulfonyl)amino]-3-fluorophenyl]propanamide
CID 140531118
2-amino-3-hydroxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
CID 115179889
2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 102432449
5-[1-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 103910876
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylbutanamide
CID 155518930
1-benzyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 110775421

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (CID 25222413) is N-[(4-tert-butylphenyl)methyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is CC(C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The InChIKey is GVFPXJZLBSNTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-13(15-7-10-17-18(11-15)24-20(26)23-17)19(25)22-12-14-5-8-16(9-6-14)21(2,3)4/h5-11,13H,12H2,1-4H3,(H,22,25)(H2,23,24,26).
What are the key properties of N-[(4-tert-butylphenyl)methyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
N-[(4-tert-butylphenyl)methyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide has a molecular weight of 351.45 g/mol, XLogP of 3.57, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is sourced from PubChem (CID 25222413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).