3-(1-methylbenzimidazol-5-yl)-N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propanamide

C17H20N6O2 — CID 97264064

IUPAC3-(1-methylbenzimidazol-5-yl)-N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propanamide
SMILESCn1cnc2cc(CCC(=O)Nc3n[nH]c([C@@H]4CCCO4)n3)ccc21
InChIInChI=1S/C17H20N6O2/c1-23-10-18-12-9-11(4-6-13(12)23)5-7-15(24)19-17-20-16(21-22-17)14-3-2-8-25-14/h4,6,9-10,14H,2-3,5,7-8H2,1H3,(H2,19,20,21,22,24)/t14-/m0/s1
InChIKeyAKYQYALETJCRLQ-AWEZNQCLSA-N
MW340.39 g/mol
LogP2.11
Rot. Bonds5

About 3-(1-methylbenzimidazol-5-yl)-N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propanamide

3-(1-methylbenzimidazol-5-yl)-N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propanamide (PubChem CID 97264064) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 3-(1-methylbenzimidazol-5-yl)-N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propanamide.

Molecular Properties

Compound Name3-(1-methylbenzimidazol-5-yl)-N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propanamide
PubChem CID97264064
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name3-(1-methylbenzimidazol-5-yl)-N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propanamide
SMILESCn1cnc2cc(CCC(=O)Nc3n[nH]c([C@@H]4CCCO4)n3)ccc21
InChIInChI=1S/C17H20N6O2/c1-23-10-18-12-9-11(4-6-13(12)23)5-7-15(24)19-17-20-16(21-22-17)14-3-2-8-25-14/h4,6,9-10,14H,2-3,5,7-8H2,1H3,(H2,19,20,21,22,24)/t14-/m0/s1
InChIKeyAKYQYALETJCRLQ-AWEZNQCLSA-N
XLogP2.11
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylbenzimidazol-5-yl)-N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propanamide?
The IUPAC name of 3-(1-methylbenzimidazol-5-yl)-N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propanamide (CID 97264064) is 3-(1-methylbenzimidazol-5-yl)-N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propanamide.
What is the SMILES notation for 3-(1-methylbenzimidazol-5-yl)-N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propanamide?
The canonical SMILES for 3-(1-methylbenzimidazol-5-yl)-N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propanamide is Cn1cnc2cc(CCC(=O)Nc3n[nH]c([C@@H]4CCCO4)n3)ccc21.
What is the InChIKey of 3-(1-methylbenzimidazol-5-yl)-N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propanamide?
The InChIKey is AKYQYALETJCRLQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-23-10-18-12-9-11(4-6-13(12)23)5-7-15(24)19-17-20-16(21-22-17)14-3-2-8-25-14/h4,6,9-10,14H,2-3,5,7-8H2,1H3,(H2,19,20,21,22,24)/t14-/m0/s1.
What are the key properties of 3-(1-methylbenzimidazol-5-yl)-N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propanamide?
3-(1-methylbenzimidazol-5-yl)-N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propanamide has a molecular weight of 340.39 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylbenzimidazol-5-yl)-N-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propanamide is sourced from PubChem (CID 97264064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).