3-(benzimidazol-1-yl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]propanamide

C22H26N4O2 — CID 39460836

IUPAC3-(benzimidazol-1-yl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]propanamide
SMILESO=C(CCn1cnc2ccccc21)NC[C@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C22H26N4O2/c27-22(10-11-26-17-24-20-8-4-5-9-21(20)26)23-14-19-16-25(12-13-28-19)15-18-6-2-1-3-7-18/h1-9,17,19H,10-16H2,(H,23,27)/t19-/m0/s1
InChIKeyVJLVCTRKTYUYEK-IBGZPJMESA-N
MW378.48 g/mol
LogP2.44
Rot. Bonds7

About 3-(benzimidazol-1-yl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]propanamide

3-(benzimidazol-1-yl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]propanamide (PubChem CID 39460836) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]propanamide
PubChem CID39460836
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name3-(benzimidazol-1-yl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]propanamide
SMILESO=C(CCn1cnc2ccccc21)NC[C@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C22H26N4O2/c27-22(10-11-26-17-24-20-8-4-5-9-21(20)26)23-14-19-16-25(12-13-28-19)15-18-6-2-1-3-7-18/h1-9,17,19H,10-16H2,(H,23,27)/t19-/m0/s1
InChIKeyVJLVCTRKTYUYEK-IBGZPJMESA-N
XLogP2.44
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzimidazol-1-yl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]ethanesulfonamide
CID 33487644
3-(benzimidazol-1-yl)-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]propanamide
CID 124758885
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 30531633
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 134057519
3-(benzimidazol-1-yl)-N-benzylpropanamide
CID 4972644
2-anilino-N-[(4-benzylmorpholin-2-yl)methyl]acetamide;dihydrochloride
CID 119829861
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 8504076
N-[(4-benzylmorpholin-2-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 43064031
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2-(2-fluorophenyl)acetamide
CID 39472038
N-[(4-benzylmorpholin-2-yl)methyl]-2-(4-formylphenoxy)acetamide
CID 78789738
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]acetamide
CID 8006468

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]propanamide (CID 39460836) is 3-(benzimidazol-1-yl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]propanamide is O=C(CCn1cnc2ccccc21)NC[C@H]1CN(Cc2ccccc2)CCO1.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]propanamide?
The InChIKey is VJLVCTRKTYUYEK-IBGZPJMESA-N. The full InChI is InChI=1S/C22H26N4O2/c27-22(10-11-26-17-24-20-8-4-5-9-21(20)26)23-14-19-16-25(12-13-28-19)15-18-6-2-1-3-7-18/h1-9,17,19H,10-16H2,(H,23,27)/t19-/m0/s1.
What are the key properties of 3-(benzimidazol-1-yl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]propanamide?
3-(benzimidazol-1-yl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]propanamide has a molecular weight of 378.48 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]propanamide is sourced from PubChem (CID 39460836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).