N-methyl-2-(2-methyl-3H-benzimidazol-5-yl)-N-[3-[(2S)-oxolan-2-yl]propyl]acetamide

C18H25N3O2 — CID 125161756

IUPACN-methyl-2-(2-methyl-3H-benzimidazol-5-yl)-N-[3-[(2S)-oxolan-2-yl]propyl]acetamide
SMILESCc1nc2ccc(CC(=O)N(C)CCC[C@H]3CCCO3)cc2[nH]1
InChIInChI=1S/C18H25N3O2/c1-13-19-16-8-7-14(11-17(16)20-13)12-18(22)21(2)9-3-5-15-6-4-10-23-15/h7-8,11,15H,3-6,9-10,12H2,1-2H3,(H,19,20)/t15-/m0/s1
InChIKeyFGXJFFITJABSJA-HNNXBMFYSA-N
MW315.42 g/mol
LogP2.83
Rot. Bonds6

About N-methyl-2-(2-methyl-3H-benzimidazol-5-yl)-N-[3-[(2S)-oxolan-2-yl]propyl]acetamide

N-methyl-2-(2-methyl-3H-benzimidazol-5-yl)-N-[3-[(2S)-oxolan-2-yl]propyl]acetamide (PubChem CID 125161756) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-methyl-2-(2-methyl-3H-benzimidazol-5-yl)-N-[3-[(2S)-oxolan-2-yl]propyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-methyl-3H-benzimidazol-5-yl)-N-[3-[(2S)-oxolan-2-yl]propyl]acetamide
PubChem CID125161756
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-methyl-2-(2-methyl-3H-benzimidazol-5-yl)-N-[3-[(2S)-oxolan-2-yl]propyl]acetamide
SMILESCc1nc2ccc(CC(=O)N(C)CCC[C@H]3CCCO3)cc2[nH]1
InChIInChI=1S/C18H25N3O2/c1-13-19-16-8-7-14(11-17(16)20-13)12-18(22)21(2)9-3-5-15-6-4-10-23-15/h7-8,11,15H,3-6,9-10,12H2,1-2H3,(H,19,20)/t15-/m0/s1
InChIKeyFGXJFFITJABSJA-HNNXBMFYSA-N
XLogP2.83
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[3-(oxolan-2-yl)propyl]-2-pyridin-3-ylacetamide
CID 91760229
4-(4-fluorophenyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]butanamide
CID 135108533
2-chloro-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]acetamide
CID 115162214
N',N'-dimethyl-2-(2-methyl-3H-benzimidazol-5-yl)acetohydrazide
CID 116847491
1-[(2-methyl-3H-benzimidazol-5-yl)methyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 97454274
3-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 125438875
4-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 172671485
5-(difluoromethyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]-1H-pyrazole-3-carboxamide
CID 121495548
2-(2-methyl-3H-benzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 110772537
2-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]morpholine
CID 116868530
N-methyl-4-(3-methyl-4-pyridinyl)-N-[3-(oxolan-2-yl)propyl]benzamide
CID 119067493
N-methyl-2-[(3S)-1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-N-(3-phenylpropyl)acetamide
CID 125013984

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methyl-3H-benzimidazol-5-yl)-N-[3-[(2S)-oxolan-2-yl]propyl]acetamide?
The IUPAC name of N-methyl-2-(2-methyl-3H-benzimidazol-5-yl)-N-[3-[(2S)-oxolan-2-yl]propyl]acetamide (CID 125161756) is N-methyl-2-(2-methyl-3H-benzimidazol-5-yl)-N-[3-[(2S)-oxolan-2-yl]propyl]acetamide.
What is the SMILES notation for N-methyl-2-(2-methyl-3H-benzimidazol-5-yl)-N-[3-[(2S)-oxolan-2-yl]propyl]acetamide?
The canonical SMILES for N-methyl-2-(2-methyl-3H-benzimidazol-5-yl)-N-[3-[(2S)-oxolan-2-yl]propyl]acetamide is Cc1nc2ccc(CC(=O)N(C)CCC[C@H]3CCCO3)cc2[nH]1.
What is the InChIKey of N-methyl-2-(2-methyl-3H-benzimidazol-5-yl)-N-[3-[(2S)-oxolan-2-yl]propyl]acetamide?
The InChIKey is FGXJFFITJABSJA-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-19-16-8-7-14(11-17(16)20-13)12-18(22)21(2)9-3-5-15-6-4-10-23-15/h7-8,11,15H,3-6,9-10,12H2,1-2H3,(H,19,20)/t15-/m0/s1.
What are the key properties of N-methyl-2-(2-methyl-3H-benzimidazol-5-yl)-N-[3-[(2S)-oxolan-2-yl]propyl]acetamide?
N-methyl-2-(2-methyl-3H-benzimidazol-5-yl)-N-[3-[(2S)-oxolan-2-yl]propyl]acetamide has a molecular weight of 315.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methyl-3H-benzimidazol-5-yl)-N-[3-[(2S)-oxolan-2-yl]propyl]acetamide is sourced from PubChem (CID 125161756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).