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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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).