N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2-[(3R)-oxan-3-yl]acetamide

C16H21N3O2 — CID 125177499

IUPACN-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2-[(3R)-oxan-3-yl]acetamide
SMILESCc1cccc2[nH]c(CNC(=O)C[C@H]3CCCOC3)nc12
InChIInChI=1S/C16H21N3O2/c1-11-4-2-6-13-16(11)19-14(18-13)9-17-15(20)8-12-5-3-7-21-10-12/h2,4,6,12H,3,5,7-10H2,1H3,(H,17,20)(H,18,19)/t12-/m1/s1
InChIKeyPKYSRUPAVSYYJU-GFCCVEGCSA-N
MW287.36 g/mol
LogP2.30
Rot. Bonds4

About N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2-[(3R)-oxan-3-yl]acetamide

N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2-[(3R)-oxan-3-yl]acetamide (PubChem CID 125177499) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2-[(3R)-oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2-[(3R)-oxan-3-yl]acetamide
PubChem CID125177499
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2-[(3R)-oxan-3-yl]acetamide
SMILESCc1cccc2[nH]c(CNC(=O)C[C@H]3CCCOC3)nc12
InChIInChI=1S/C16H21N3O2/c1-11-4-2-6-13-16(11)19-14(18-13)9-17-15(20)8-12-5-3-7-21-10-12/h2,4,6,12H,3,5,7-10H2,1H3,(H,17,20)(H,18,19)/t12-/m1/s1
InChIKeyPKYSRUPAVSYYJU-GFCCVEGCSA-N
XLogP2.30
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(oxolan-3-yl)acetamide
CID 122572647
N-[(4-methyl-1H-benzimidazol-2-yl)methyl]azepane-4-carboxamide;dihydrochloride
CID 154903516
2-[(3R)-oxan-3-yl]-N-[(1-phenyltetrazol-5-yl)methyl]acetamide
CID 126439740
N-methyl-3-[[[2-[(3R)-oxan-3-yl]acetyl]amino]methyl]benzamide
CID 124624589
N-(2-methyl-6-propan-2-ylphenyl)-2-(oxan-3-yl)acetamide
CID 110858330
2-(oxan-3-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 139007416
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide
CID 96529378
N,N-dimethyl-5-[[[2-[(3S)-oxan-3-yl]acetyl]amino]methyl]furan-2-carboxamide
CID 126431945
N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide
CID 167935540
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-[(3R)-oxan-3-yl]acetamide
CID 124626187
N-(2,6-difluorophenyl)-2-(oxan-3-yl)acetamide
CID 110865266
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(oxan-3-yl)acetamide
CID 131932133

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2-[(3R)-oxan-3-yl]acetamide?
The IUPAC name of N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2-[(3R)-oxan-3-yl]acetamide (CID 125177499) is N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2-[(3R)-oxan-3-yl]acetamide.
What is the SMILES notation for N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2-[(3R)-oxan-3-yl]acetamide?
The canonical SMILES for N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2-[(3R)-oxan-3-yl]acetamide is Cc1cccc2[nH]c(CNC(=O)C[C@H]3CCCOC3)nc12.
What is the InChIKey of N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2-[(3R)-oxan-3-yl]acetamide?
The InChIKey is PKYSRUPAVSYYJU-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-4-2-6-13-16(11)19-14(18-13)9-17-15(20)8-12-5-3-7-21-10-12/h2,4,6,12H,3,5,7-10H2,1H3,(H,17,20)(H,18,19)/t12-/m1/s1.
What are the key properties of N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2-[(3R)-oxan-3-yl]acetamide?
N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2-[(3R)-oxan-3-yl]acetamide has a molecular weight of 287.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2-[(3R)-oxan-3-yl]acetamide is sourced from PubChem (CID 125177499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).