N-[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-[(2R)-oxolan-2-yl]acetamide

C21H23N3O2 — CID 94821546

IUPACN-[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-[(2R)-oxolan-2-yl]acetamide
SMILESCn1c([C@H](NC(=O)C[C@H]2CCCO2)c2ccccc2)nc2ccccc21
InChIInChI=1S/C21H23N3O2/c1-24-18-12-6-5-11-17(18)22-21(24)20(15-8-3-2-4-9-15)23-19(25)14-16-10-7-13-26-16/h2-6,8-9,11-12,16,20H,7,10,13-14H2,1H3,(H,23,25)/t16-,20-/m1/s1
InChIKeyJEIPSIWBIRMIJY-OXQOHEQNSA-N
MW349.43 g/mol
LogP3.35
Rot. Bonds5

About N-[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-[(2R)-oxolan-2-yl]acetamide

N-[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-[(2R)-oxolan-2-yl]acetamide (PubChem CID 94821546) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-[(2R)-oxolan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-[(2R)-oxolan-2-yl]acetamide
PubChem CID94821546
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-[(2R)-oxolan-2-yl]acetamide
SMILESCn1c([C@H](NC(=O)C[C@H]2CCCO2)c2ccccc2)nc2ccccc21
InChIInChI=1S/C21H23N3O2/c1-24-18-12-6-5-11-17(18)22-21(24)20(15-8-3-2-4-9-15)23-19(25)14-16-10-7-13-26-16/h2-6,8-9,11-12,16,20H,7,10,13-14H2,1H3,(H,23,25)/t16-,20-/m1/s1
InChIKeyJEIPSIWBIRMIJY-OXQOHEQNSA-N
XLogP3.35
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-[(2R)-oxolan-2-yl]acetamide 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

2-cyclopentyl-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide
CID 52535851
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide
CID 98727973
7-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]heptanamide
CID 119863894
(2S)-2-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylacetic acid
CID 103804697
(2R)-2-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylacetic acid
CID 65156988
(2S)-2-[[2-[(2S)-oxolan-2-yl]acetyl]amino]-2-phenylacetic acid
CID 124559457
1-methoxy-3-[(1-methylbenzimidazol-2-yl)-phenylmethyl]urea
CID 86816785
N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86846813
2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 92869820
N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-N',N'-dipropylpentanediamide
CID 56540206
2-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]pentanamide;dihydrochloride
CID 119863897
N-methyl-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine
CID 3009976

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-[(2R)-oxolan-2-yl]acetamide?
The IUPAC name of N-[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-[(2R)-oxolan-2-yl]acetamide (CID 94821546) is N-[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-[(2R)-oxolan-2-yl]acetamide.
What is the SMILES notation for N-[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-[(2R)-oxolan-2-yl]acetamide?
The canonical SMILES for N-[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-[(2R)-oxolan-2-yl]acetamide is Cn1c([C@H](NC(=O)C[C@H]2CCCO2)c2ccccc2)nc2ccccc21.
What is the InChIKey of N-[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-[(2R)-oxolan-2-yl]acetamide?
The InChIKey is JEIPSIWBIRMIJY-OXQOHEQNSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-24-18-12-6-5-11-17(18)22-21(24)20(15-8-3-2-4-9-15)23-19(25)14-16-10-7-13-26-16/h2-6,8-9,11-12,16,20H,7,10,13-14H2,1H3,(H,23,25)/t16-,20-/m1/s1.
What are the key properties of N-[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-[(2R)-oxolan-2-yl]acetamide?
N-[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-[(2R)-oxolan-2-yl]acetamide has a molecular weight of 349.43 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-[(2R)-oxolan-2-yl]acetamide is sourced from PubChem (CID 94821546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).