N-[[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide

C18H18N4O2 — CID 17029387

IUPACN-[[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCc1nc2ccccc2n1CC(N)=O
InChIInChI=1S/C18H18N4O2/c1-12-6-2-3-7-13(12)18(24)20-10-17-21-14-8-4-5-9-15(14)22(17)11-16(19)23/h2-9H,10-11H2,1H3,(H2,19,23)(H,20,24)
InChIKeyADQXKRMVKYTNLH-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.76
Rot. Bonds5

About N-[[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide

N-[[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide (PubChem CID 17029387) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide
PubChem CID17029387
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCc1nc2ccccc2n1CC(N)=O
InChIInChI=1S/C18H18N4O2/c1-12-6-2-3-7-13(12)18(24)20-10-17-21-14-8-4-5-9-15(14)22(17)11-16(19)23/h2-9H,10-11H2,1H3,(H2,19,23)(H,20,24)
InChIKeyADQXKRMVKYTNLH-UHFFFAOYSA-N
XLogP1.76
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-[[(2-methylbenzoyl)amino]methyl]benzimidazol-1-yl]acetate
CID 17006923
2-methyl-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide
CID 17006775
N-[[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17029353
N-[(1-butylbenzimidazol-2-yl)methyl]-2-methylbenzamide
CID 17006780
2-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide
CID 17006783
N-[[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17006928
2-methyl-N-[[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029366
N-[[1-[2-(3-methoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17029351
N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17029360
N-[[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17006880
ethyl 2-[2-[2-[(2-methylbenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 16976016
N-[[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17006888

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide?
The IUPAC name of N-[[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide (CID 17029387) is N-[[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide.
What is the SMILES notation for N-[[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide?
The canonical SMILES for N-[[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCc1nc2ccccc2n1CC(N)=O.
What is the InChIKey of N-[[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide?
The InChIKey is ADQXKRMVKYTNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-6-2-3-7-13(12)18(24)20-10-17-21-14-8-4-5-9-15(14)22(17)11-16(19)23/h2-9H,10-11H2,1H3,(H2,19,23)(H,20,24).
What are the key properties of N-[[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide?
N-[[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide has a molecular weight of 322.37 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide is sourced from PubChem (CID 17029387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).