N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide

C22H25N3O2 — CID 52514252

IUPACN-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide
SMILESO=C(CC[C@@H]1CCCO1)NCc1ccc(Cn2cnc3ccccc32)cc1
InChIInChI=1S/C22H25N3O2/c26-22(12-11-19-4-3-13-27-19)23-14-17-7-9-18(10-8-17)15-25-16-24-20-5-1-2-6-21(20)25/h1-2,5-10,16,19H,3-4,11-15H2,(H,23,26)/t19-/m0/s1
InChIKeyOCKJSYHHIDYLKU-IBGZPJMESA-N
MW363.46 g/mol
LogP3.66
Rot. Bonds7

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

N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide (PubChem CID 52514252) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide.

Molecular Properties

Compound NameN-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide
PubChem CID52514252
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide
SMILESO=C(CC[C@@H]1CCCO1)NCc1ccc(Cn2cnc3ccccc32)cc1
InChIInChI=1S/C22H25N3O2/c26-22(12-11-19-4-3-13-27-19)23-14-17-7-9-18(10-8-17)15-25-16-24-20-5-1-2-6-21(20)25/h1-2,5-10,16,19H,3-4,11-15H2,(H,23,26)/t19-/m0/s1
InChIKeyOCKJSYHHIDYLKU-IBGZPJMESA-N
XLogP3.66
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxyphenyl)methyl]-3-(oxan-2-yl)propanamide
CID 115621995
N-[[4-(chloromethyl)phenyl]methyl]-3-(oxan-2-yl)propanamide
CID 107233408
(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
(2S,5R)-5-(aminomethyl)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 120799328
2-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120799330
3-(benzimidazol-1-yl)-N-benzylpropanamide
CID 4972644
3-[(2R)-oxolan-2-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 94097094
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119868689
3-[2-(benzimidazol-1-yl)ethyl]-1-benzyl-1-(oxolan-2-ylmethyl)urea
CID 139000215
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide
CID 49047342
N-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-(oxolan-2-yl)propanamide
CID 71989359

Frequently Asked Questions

What is the IUPAC name of N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide?
The IUPAC name of N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide (CID 52514252) is N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide.
What is the SMILES notation for N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide?
The canonical SMILES for N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide is O=C(CC[C@@H]1CCCO1)NCc1ccc(Cn2cnc3ccccc32)cc1.
What is the InChIKey of N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide?
The InChIKey is OCKJSYHHIDYLKU-IBGZPJMESA-N. The full InChI is InChI=1S/C22H25N3O2/c26-22(12-11-19-4-3-13-27-19)23-14-17-7-9-18(10-8-17)15-25-16-24-20-5-1-2-6-21(20)25/h1-2,5-10,16,19H,3-4,11-15H2,(H,23,26)/t19-/m0/s1.
What are the key properties of N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide?
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide has a molecular weight of 363.46 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide is sourced from PubChem (CID 52514252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).