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

C17H17N3O2 — CID 110772085

IUPACN-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESCc1ccccc1CNC(=O)Cc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H17N3O2/c1-11-4-2-3-5-13(11)10-18-16(21)9-12-6-7-14-15(8-12)20-17(22)19-14/h2-8H,9-10H2,1H3,(H,18,21)(H2,19,20,22)
InChIKeyNXIBGJHUHKTXRV-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.02
Rot. Bonds4

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

N-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (PubChem CID 110772085) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
PubChem CID110772085
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESCc1ccccc1CNC(=O)Cc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H17N3O2/c1-11-4-2-3-5-13(11)10-18-16(21)9-12-6-7-14-15(8-12)20-17(22)19-14/h2-8H,9-10H2,1H3,(H,18,21)(H2,19,20,22)
InChIKeyNXIBGJHUHKTXRV-UHFFFAOYSA-N
XLogP2.02
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-2-phenylacetamide
CID 110785246
3-(2-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide
CID 155558764
2-(3-methoxyphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide
CID 110785285
N-(2-aminoethyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 82496271
2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-phenylacetamide
CID 110772142
N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-2-phenylacetamide
CID 110791178
2-(4-methylphenyl)-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide
CID 110791217
3-(2-methylphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 110724040
N-[(2-methylphenyl)methyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 110768423
5-(2-oxo-3-phenylpropyl)-1,3-dihydrobenzimidazol-2-one
CID 158499935
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide
CID 129398655
1-(2-methylphenyl)-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]methanesulfonamide
CID 110791248

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (CID 110772085) is N-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is Cc1ccccc1CNC(=O)Cc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The InChIKey is NXIBGJHUHKTXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11-4-2-3-5-13(11)10-18-16(21)9-12-6-7-14-15(8-12)20-17(22)19-14/h2-8H,9-10H2,1H3,(H,18,21)(H2,19,20,22).
What are the key properties of N-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
N-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide has a molecular weight of 295.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 110772085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).