3-(2-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide

C19H21N3O2 — CID 155558764

IUPAC3-(2-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide
SMILESCc1ccccc1C(C)CC(=O)NCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C19H21N3O2/c1-12-5-3-4-6-15(12)13(2)9-18(23)20-11-14-7-8-16-17(10-14)22-19(24)21-16/h3-8,10,13H,9,11H2,1-2H3,(H,20,23)(H2,21,22,24)
InChIKeyJNJORCBJJCINQM-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.97
Rot. Bonds5

About 3-(2-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide

3-(2-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide (PubChem CID 155558764) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-(2-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide.

Molecular Properties

Compound Name3-(2-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide
PubChem CID155558764
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name3-(2-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide
SMILESCc1ccccc1C(C)CC(=O)NCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C19H21N3O2/c1-12-5-3-4-6-15(12)13(2)9-18(23)20-11-14-7-8-16-17(10-14)22-19(24)21-16/h3-8,10,13H,9,11H2,1-2H3,(H,20,23)(H2,21,22,24)
InChIKeyJNJORCBJJCINQM-UHFFFAOYSA-N
XLogP2.97
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylbutanamide
CID 155518930
N-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 110772085
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-2-phenylacetamide
CID 110785246
3-(furan-2-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylpropanamide
CID 91776883
1-benzyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 110775421
4-oxo-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]butanoic acid
CID 82501247
3-(3-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
CID 110785273
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide
CID 129398655
2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide
CID 91795899
2-(3-methoxyphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide
CID 110785285
3-[3-(2-methylphenyl)butanoylamino]propanoic acid
CID 119177010
N-(3-hydroxybutyl)-3-(2-methylphenyl)butanamide
CID 111433573

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide?
The IUPAC name of 3-(2-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide (CID 155558764) is 3-(2-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide.
What is the SMILES notation for 3-(2-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide?
The canonical SMILES for 3-(2-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide is Cc1ccccc1C(C)CC(=O)NCc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 3-(2-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide?
The InChIKey is JNJORCBJJCINQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-12-5-3-4-6-15(12)13(2)9-18(23)20-11-14-7-8-16-17(10-14)22-19(24)21-16/h3-8,10,13H,9,11H2,1-2H3,(H,20,23)(H2,21,22,24).
What are the key properties of 3-(2-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide?
3-(2-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide has a molecular weight of 323.40 g/mol, XLogP of 2.97, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide is sourced from PubChem (CID 155558764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).