3-methoxy-N-[[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]methyl]benzamide

C22H24N4O4 — CID 17008033

IUPAC3-methoxy-N-[[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]methyl]benzamide
SMILESCOc1cccc(C(=O)NCc2nc3ccccc3n2CC(=O)N2CCOCC2)c1
InChIInChI=1S/C22H24N4O4/c1-29-17-6-4-5-16(13-17)22(28)23-14-20-24-18-7-2-3-8-19(18)26(20)15-21(27)25-9-11-30-12-10-25/h2-8,13H,9-12,14-15H2,1H3,(H,23,28)
InChIKeyZMLZBEGBZXTTPN-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.83
Rot. Bonds6

About 3-methoxy-N-[[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]methyl]benzamide

3-methoxy-N-[[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]methyl]benzamide (PubChem CID 17008033) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 3-methoxy-N-[[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]methyl]benzamide
PubChem CID17008033
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name3-methoxy-N-[[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]methyl]benzamide
SMILESCOc1cccc(C(=O)NCc2nc3ccccc3n2CC(=O)N2CCOCC2)c1
InChIInChI=1S/C22H24N4O4/c1-29-17-6-4-5-16(13-17)22(28)23-14-20-24-18-7-2-3-8-19(18)26(20)15-21(27)25-9-11-30-12-10-25/h2-8,13H,9-12,14-15H2,1H3,(H,23,28)
InChIKeyZMLZBEGBZXTTPN-UHFFFAOYSA-N
XLogP1.83
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]benzamide
CID 16983766
3-methoxy-N-[[1-(2-methylbutyl)benzimidazol-2-yl]methyl]benzamide
CID 17007896
3-methoxy-N-[(1-octylbenzimidazol-2-yl)methyl]benzamide
CID 17007901
3-bromo-N-[2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16977877
3-methoxy-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide
CID 17007935
N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17006753
N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 17008656
3-methyl-N-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17007392
N-[[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972336
N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]benzamide
CID 16982324
N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-3-methoxybenzamide
CID 17008010
N-[[1-[2-(4-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17029468

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 3-methoxy-N-[[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]methyl]benzamide (CID 17008033) is 3-methoxy-N-[[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 3-methoxy-N-[[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]methyl]benzamide is COc1cccc(C(=O)NCc2nc3ccccc3n2CC(=O)N2CCOCC2)c1.
What is the InChIKey of 3-methoxy-N-[[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]methyl]benzamide?
The InChIKey is ZMLZBEGBZXTTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-29-17-6-4-5-16(13-17)22(28)23-14-20-24-18-7-2-3-8-19(18)26(20)15-21(27)25-9-11-30-12-10-25/h2-8,13H,9-12,14-15H2,1H3,(H,23,28).
What are the key properties of 3-methoxy-N-[[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]methyl]benzamide?
3-methoxy-N-[[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]methyl]benzamide has a molecular weight of 408.46 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17008033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).