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

C14H16FN7O — CID 118760636

IUPAC(2S)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(tetrazol-1-yl)propanamide
SMILESC[C@@H](C(=O)N(C)CCc1nc2ccc(F)cc2[nH]1)n1cnnn1
InChIInChI=1S/C14H16FN7O/c1-9(22-8-16-19-20-22)14(23)21(2)6-5-13-17-11-4-3-10(15)7-12(11)18-13/h3-4,7-9H,5-6H2,1-2H3,(H,17,18)/t9-/m0/s1
InChIKeyQEEUBFQNNSJTBG-VIFPVBQESA-N
MW317.33 g/mol
LogP0.95
Rot. Bonds5

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

(2S)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(tetrazol-1-yl)propanamide (PubChem CID 118760636) has the molecular formula C14H16FN7O and a molecular weight of 317.33 g/mol. Its IUPAC name is (2S)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(tetrazol-1-yl)propanamide
PubChem CID118760636
Molecular FormulaC14H16FN7O
Molecular Weight317.33 g/mol
Exact Mass317.14
IUPAC Name(2S)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(tetrazol-1-yl)propanamide
SMILESC[C@@H](C(=O)N(C)CCc1nc2ccc(F)cc2[nH]1)n1cnnn1
InChIInChI=1S/C14H16FN7O/c1-9(22-8-16-19-20-22)14(23)21(2)6-5-13-17-11-4-3-10(15)7-12(11)18-13/h3-4,7-9H,5-6H2,1-2H3,(H,17,18)/t9-/m0/s1
InChIKeyQEEUBFQNNSJTBG-VIFPVBQESA-N
XLogP0.95
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide;dihydrochloride
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N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
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2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
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N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(tetrazol-1-yl)propanamide?
The IUPAC name of (2S)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(tetrazol-1-yl)propanamide (CID 118760636) is (2S)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(tetrazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(tetrazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(tetrazol-1-yl)propanamide is C[C@@H](C(=O)N(C)CCc1nc2ccc(F)cc2[nH]1)n1cnnn1.
What is the InChIKey of (2S)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(tetrazol-1-yl)propanamide?
The InChIKey is QEEUBFQNNSJTBG-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16FN7O/c1-9(22-8-16-19-20-22)14(23)21(2)6-5-13-17-11-4-3-10(15)7-12(11)18-13/h3-4,7-9H,5-6H2,1-2H3,(H,17,18)/t9-/m0/s1.
What are the key properties of (2S)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(tetrazol-1-yl)propanamide?
(2S)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(tetrazol-1-yl)propanamide has a molecular weight of 317.33 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 118760636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).