N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-hydroxyethyl)-N-methylbenzimidazole-5-carboxamide

C18H17N5O3 — CID 74247941

IUPACN-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-hydroxyethyl)-N-methylbenzimidazole-5-carboxamide
SMILESCN(Cc1ccc2nonc2c1)C(=O)c1ccc2c(c1)ncn2CCO
InChIInChI=1S/C18H17N5O3/c1-22(10-12-2-4-14-15(8-12)21-26-20-14)18(25)13-3-5-17-16(9-13)19-11-23(17)6-7-24/h2-5,8-9,11,24H,6-7,10H2,1H3
InChIKeyLBIOWLLCTJLLQF-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.84
Rot. Bonds5

About N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-hydroxyethyl)-N-methylbenzimidazole-5-carboxamide

N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-hydroxyethyl)-N-methylbenzimidazole-5-carboxamide (PubChem CID 74247941) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-hydroxyethyl)-N-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-hydroxyethyl)-N-methylbenzimidazole-5-carboxamide
PubChem CID74247941
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-hydroxyethyl)-N-methylbenzimidazole-5-carboxamide
SMILESCN(Cc1ccc2nonc2c1)C(=O)c1ccc2c(c1)ncn2CCO
InChIInChI=1S/C18H17N5O3/c1-22(10-12-2-4-14-15(8-12)21-26-20-14)18(25)13-3-5-17-16(9-13)19-11-23(17)6-7-24/h2-5,8-9,11,24H,6-7,10H2,1H3
InChIKeyLBIOWLLCTJLLQF-UHFFFAOYSA-N
XLogP1.84
TPSA97.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-hydroxyethyl)-N-methylbenzimidazole-5-carboxamide?
The IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-hydroxyethyl)-N-methylbenzimidazole-5-carboxamide (CID 74247941) is N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-hydroxyethyl)-N-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-hydroxyethyl)-N-methylbenzimidazole-5-carboxamide?
The canonical SMILES for N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-hydroxyethyl)-N-methylbenzimidazole-5-carboxamide is CN(Cc1ccc2nonc2c1)C(=O)c1ccc2c(c1)ncn2CCO.
What is the InChIKey of N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-hydroxyethyl)-N-methylbenzimidazole-5-carboxamide?
The InChIKey is LBIOWLLCTJLLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-22(10-12-2-4-14-15(8-12)21-26-20-14)18(25)13-3-5-17-16(9-13)19-11-23(17)6-7-24/h2-5,8-9,11,24H,6-7,10H2,1H3.
What are the key properties of N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-hydroxyethyl)-N-methylbenzimidazole-5-carboxamide?
N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-hydroxyethyl)-N-methylbenzimidazole-5-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-hydroxyethyl)-N-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 74247941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).