N-[2-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]ethyl]-3-methylbenzamide

C19H20N4O2 — CID 17030842

IUPACN-[2-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCc2nc3ccccc3n2CC(N)=O)c1
InChIInChI=1S/C19H20N4O2/c1-13-5-4-6-14(11-13)19(25)21-10-9-18-22-15-7-2-3-8-16(15)23(18)12-17(20)24/h2-8,11H,9-10,12H2,1H3,(H2,20,24)(H,21,25)
InChIKeyYBFNNUFQBHOQMK-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.80
Rot. Bonds6

About N-[2-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]ethyl]-3-methylbenzamide

N-[2-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]ethyl]-3-methylbenzamide (PubChem CID 17030842) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[2-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]ethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]ethyl]-3-methylbenzamide
PubChem CID17030842
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[2-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCc2nc3ccccc3n2CC(N)=O)c1
InChIInChI=1S/C19H20N4O2/c1-13-5-4-6-14(11-13)19(25)21-10-9-18-22-15-7-2-3-8-16(15)23(18)12-17(20)24/h2-8,11H,9-10,12H2,1H3,(H2,20,24)(H,21,25)
InChIKeyYBFNNUFQBHOQMK-UHFFFAOYSA-N
XLogP1.80
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]propyl]-3-methylbenzamide
CID 17031577
3-methyl-N-[2-[1-[2-(2-methylpropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030797
3-methyl-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977708
N-[2-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 17030796
N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16977702
N-[2-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16977725
N-[2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16977611
3-methyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]benzamide
CID 4106595
3-methyl-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16983159
3-methyl-N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030841
3-methyl-N-[3-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031571
N-[3-(1-heptylbenzimidazol-2-yl)propyl]-3-methylbenzamide
CID 16983150

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]ethyl]-3-methylbenzamide?
The IUPAC name of N-[2-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]ethyl]-3-methylbenzamide (CID 17030842) is N-[2-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]ethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]ethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCCc2nc3ccccc3n2CC(N)=O)c1.
What is the InChIKey of N-[2-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]ethyl]-3-methylbenzamide?
The InChIKey is YBFNNUFQBHOQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-5-4-6-14(11-13)19(25)21-10-9-18-22-15-7-2-3-8-16(15)23(18)12-17(20)24/h2-8,11H,9-10,12H2,1H3,(H2,20,24)(H,21,25).
What are the key properties of N-[2-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]ethyl]-3-methylbenzamide?
N-[2-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]ethyl]-3-methylbenzamide has a molecular weight of 336.40 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]ethyl]-3-methylbenzamide is sourced from PubChem (CID 17030842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).