2-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide

C16H21FN4O2 — CID 91837583

IUPAC2-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCN(CC(=O)NCC1CCCO1)Cc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C16H21FN4O2/c1-21(10-16(22)18-8-12-3-2-6-23-12)9-15-19-13-5-4-11(17)7-14(13)20-15/h4-5,7,12H,2-3,6,8-10H2,1H3,(H,18,22)(H,19,20)
InChIKeyMPDMVPHNNYGRDV-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.43
Rot. Bonds6

About 2-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide

2-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 91837583) has the molecular formula C16H21FN4O2 and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID91837583
Molecular FormulaC16H21FN4O2
Molecular Weight320.37 g/mol
Exact Mass320.16
IUPAC Name2-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCN(CC(=O)NCC1CCCO1)Cc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C16H21FN4O2/c1-21(10-16(22)18-8-12-3-2-6-23-12)9-15-19-13-5-4-11(17)7-14(13)20-15/h4-5,7,12H,2-3,6,8-10H2,1H3,(H,18,22)(H,19,20)
InChIKeyMPDMVPHNNYGRDV-UHFFFAOYSA-N
XLogP1.43
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-fluoro-1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 82336968
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
CID 125175720
2-(N-ethyl-4-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 78826010
2-[benzyl(methyl)amino]-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 94216554
3-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 122559676
1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-(oxolan-2-ylmethyl)urea
CID 119069577
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 31883592
(2S,3S)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methyloxane-3-carboxamide
CID 129399604
6-fluoro-N-(oxolan-2-ylmethyl)quinoline-2-carboxamide
CID 110464461
2-[methyl-[[3-(2H-tetrazol-5-yl)phenyl]methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 124758787
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 78793510
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide (CID 91837583) is 2-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide is CN(CC(=O)NCC1CCCO1)Cc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 2-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is MPDMVPHNNYGRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2/c1-21(10-16(22)18-8-12-3-2-6-23-12)9-15-19-13-5-4-11(17)7-14(13)20-15/h4-5,7,12H,2-3,6,8-10H2,1H3,(H,18,22)(H,19,20).
What are the key properties of 2-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide?
2-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 320.37 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 91837583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).