(3R)-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]oxolane-3-carboxamide

C20H21N3O2 — CID 129369123

IUPAC(3R)-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]oxolane-3-carboxamide
SMILESO=C(NCc1cccc(Cn2cnc3ccccc32)c1)[C@@H]1CCOC1
InChIInChI=1S/C20H21N3O2/c24-20(17-8-9-25-13-17)21-11-15-4-3-5-16(10-15)12-23-14-22-18-6-1-2-7-19(18)23/h1-7,10,14,17H,8-9,11-13H2,(H,21,24)/t17-/m1/s1
InChIKeyAZJBDGDGFKYBGG-QGZVFWFLSA-N
MW335.41 g/mol
LogP2.74
Rot. Bonds5

About (3R)-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]oxolane-3-carboxamide

(3R)-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]oxolane-3-carboxamide (PubChem CID 129369123) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is (3R)-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]oxolane-3-carboxamide
PubChem CID129369123
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name(3R)-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]oxolane-3-carboxamide
SMILESO=C(NCc1cccc(Cn2cnc3ccccc32)c1)[C@@H]1CCOC1
InChIInChI=1S/C20H21N3O2/c24-20(17-8-9-25-13-17)21-11-15-4-3-5-16(10-15)12-23-14-22-18-6-1-2-7-19(18)23/h1-7,10,14,17H,8-9,11-13H2,(H,21,24)/t17-/m1/s1
InChIKeyAZJBDGDGFKYBGG-QGZVFWFLSA-N
XLogP2.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]oxolane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-(oxolan-3-yl)urea
CID 126772299
(3R)-N-[3-(benzimidazol-1-ylmethyl)phenyl]oxolane-3-carboxamide
CID 95617946
N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014574
(3R)-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide
CID 95044599
1-[[3-(benzimidazol-1-ylmethyl)phenyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122004444
1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-(2-hydroxyethyl)urea
CID 110911543
4-amino-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]butanamide
CID 119862887
N-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 155516452
2-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120799330
N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-5-(carbamoylamino)pentanamide
CID 60602251
(2S)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 122081440
(2S,5R)-5-(aminomethyl)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 120799328

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]oxolane-3-carboxamide?
The IUPAC name of (3R)-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]oxolane-3-carboxamide (CID 129369123) is (3R)-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]oxolane-3-carboxamide?
The canonical SMILES for (3R)-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]oxolane-3-carboxamide is O=C(NCc1cccc(Cn2cnc3ccccc32)c1)[C@@H]1CCOC1.
What is the InChIKey of (3R)-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]oxolane-3-carboxamide?
The InChIKey is AZJBDGDGFKYBGG-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-20(17-8-9-25-13-17)21-11-15-4-3-5-16(10-15)12-23-14-22-18-6-1-2-7-19(18)23/h1-7,10,14,17H,8-9,11-13H2,(H,21,24)/t17-/m1/s1.
What are the key properties of (3R)-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]oxolane-3-carboxamide?
(3R)-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]oxolane-3-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 129369123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).