2-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide

C22H26N4O2 — CID 120799330

IUPAC2-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)NCc1ccc(Cn2cnc3ccccc32)cc1)C1CCOCC1
InChIInChI=1S/C22H26N4O2/c23-21(18-9-11-28-12-10-18)22(27)24-13-16-5-7-17(8-6-16)14-26-15-25-19-3-1-2-4-20(19)26/h1-8,15,18,21H,9-14,23H2,(H,24,27)
InChIKeyDYQYCMNZHPBSDP-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.45
Rot. Bonds6

About 2-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide

2-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide (PubChem CID 120799330) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide
PubChem CID120799330
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)NCc1ccc(Cn2cnc3ccccc32)cc1)C1CCOCC1
InChIInChI=1S/C22H26N4O2/c23-21(18-9-11-28-12-10-18)22(27)24-13-16-5-7-17(8-6-16)14-26-15-25-19-3-1-2-4-20(19)26/h1-8,15,18,21H,9-14,23H2,(H,24,27)
InChIKeyDYQYCMNZHPBSDP-UHFFFAOYSA-N
XLogP2.45
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-(benzimidazol-1-yl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797737
2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611
2-amino-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797215
2-amino-2-(oxan-4-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 120786406
(2S,5R)-5-(aminomethyl)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 120799328
2-amino-2-(oxan-4-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide;dihydrochloride
CID 120800815
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide
CID 52514252
(3R)-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]oxolane-3-carboxamide
CID 129369123
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-imidazol-1-ylpropanamide
CID 49046843
(2S)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 122081440
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-hydroxycyclobutane-1-carboxamide
CID 99777967
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119868689

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide (CID 120799330) is 2-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide is NC(C(=O)NCc1ccc(Cn2cnc3ccccc32)cc1)C1CCOCC1.
What is the InChIKey of 2-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide?
The InChIKey is DYQYCMNZHPBSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c23-21(18-9-11-28-12-10-18)22(27)24-13-16-5-7-17(8-6-16)14-26-15-25-19-3-1-2-4-20(19)26/h1-8,15,18,21H,9-14,23H2,(H,24,27).
What are the key properties of 2-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide?
2-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide has a molecular weight of 378.48 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120799330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).