N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide

C19H27FN4O — CID 95204074

IUPACN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide
SMILESCN(CCc1nc2ccc(F)cc2[nH]1)C(=O)CC[C@@H]1CCCCN1C
InChIInChI=1S/C19H27FN4O/c1-23-11-4-3-5-15(23)7-9-19(25)24(2)12-10-18-21-16-8-6-14(20)13-17(16)22-18/h6,8,13,15H,3-5,7,9-12H2,1-2H3,(H,21,22)/t15-/m0/s1
InChIKeyQFOCDFWNZICUKI-HNNXBMFYSA-N
MW346.45 g/mol
LogP2.97
Rot. Bonds6

About N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide

N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide (PubChem CID 95204074) has the molecular formula C19H27FN4O and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide.

Molecular Properties

Compound NameN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide
PubChem CID95204074
Molecular FormulaC19H27FN4O
Molecular Weight346.45 g/mol
Exact Mass346.22
IUPAC NameN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide
SMILESCN(CCc1nc2ccc(F)cc2[nH]1)C(=O)CC[C@@H]1CCCCN1C
InChIInChI=1S/C19H27FN4O/c1-23-11-4-3-5-15(23)7-9-19(25)24(2)12-10-18-21-16-8-6-14(20)13-17(16)22-18/h6,8,13,15H,3-5,7,9-12H2,1-2H3,(H,21,22)/t15-/m0/s1
InChIKeyQFOCDFWNZICUKI-HNNXBMFYSA-N
XLogP2.97
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide?
The IUPAC name of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide (CID 95204074) is N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide.
What is the SMILES notation for N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide?
The canonical SMILES for N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide is CN(CCc1nc2ccc(F)cc2[nH]1)C(=O)CC[C@@H]1CCCCN1C.
What is the InChIKey of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide?
The InChIKey is QFOCDFWNZICUKI-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27FN4O/c1-23-11-4-3-5-15(23)7-9-19(25)24(2)12-10-18-21-16-8-6-14(20)13-17(16)22-18/h6,8,13,15H,3-5,7,9-12H2,1-2H3,(H,21,22)/t15-/m0/s1.
What are the key properties of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide?
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide has a molecular weight of 346.45 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide is sourced from PubChem (CID 95204074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).