N-(benzimidazol-1-yl)-7-chloro-1,3-benzodioxole-5-carboxamide

C15H10ClN3O3 — CID 34334265

IUPACN-(benzimidazol-1-yl)-7-chloro-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nn1cnc2ccccc21)c1cc(Cl)c2c(c1)OCO2
InChIInChI=1S/C15H10ClN3O3/c16-10-5-9(6-13-14(10)22-8-21-13)15(20)18-19-7-17-11-3-1-2-4-12(11)19/h1-7H,8H2,(H,18,20)
InChIKeyXKDUANMVYVXZPG-UHFFFAOYSA-N
MW315.72 g/mol
LogP2.80
Rot. Bonds2

About N-(benzimidazol-1-yl)-7-chloro-1,3-benzodioxole-5-carboxamide

N-(benzimidazol-1-yl)-7-chloro-1,3-benzodioxole-5-carboxamide (PubChem CID 34334265) has the molecular formula C15H10ClN3O3 and a molecular weight of 315.72 g/mol. Its IUPAC name is N-(benzimidazol-1-yl)-7-chloro-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(benzimidazol-1-yl)-7-chloro-1,3-benzodioxole-5-carboxamide
PubChem CID34334265
Molecular FormulaC15H10ClN3O3
Molecular Weight315.72 g/mol
Exact Mass315.04
IUPAC NameN-(benzimidazol-1-yl)-7-chloro-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nn1cnc2ccccc21)c1cc(Cl)c2c(c1)OCO2
InChIInChI=1S/C15H10ClN3O3/c16-10-5-9(6-13-14(10)22-8-21-13)15(20)18-19-7-17-11-3-1-2-4-12(11)19/h1-7H,8H2,(H,18,20)
InChIKeyXKDUANMVYVXZPG-UHFFFAOYSA-N
XLogP2.80
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(benzimidazol-1-yl)-5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 34334261
N-(benzimidazol-1-yl)-2,4-dichlorobenzamide
CID 17464518
7-chloro-N'-methyl-N'-phenyl-1,3-benzodioxole-5-carbohydrazide
CID 9480093
7-chloro-N'-(2-fluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide
CID 9427736
7-chloro-N-[phenyl(pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 51184964
N-(benzimidazol-1-yl)-5-bromopyridine-3-carboxamide
CID 17481088
N-(benzimidazol-1-yl)-5-chlorothiophene-2-carboxamide
CID 34328272
7-chloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-benzodioxole-5-carboxamide
CID 47014626
7-chloro-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-1,3-benzodioxole-5-carboxamide
CID 31357742
7-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 51247932
7-chloro-N-(1H-pyrazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 61393952
7-chloro-N-(3-indol-1-ylpropyl)-1,3-benzodioxole-5-carboxamide
CID 24554019

Frequently Asked Questions

What is the IUPAC name of N-(benzimidazol-1-yl)-7-chloro-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(benzimidazol-1-yl)-7-chloro-1,3-benzodioxole-5-carboxamide (CID 34334265) is N-(benzimidazol-1-yl)-7-chloro-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(benzimidazol-1-yl)-7-chloro-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(benzimidazol-1-yl)-7-chloro-1,3-benzodioxole-5-carboxamide is O=C(Nn1cnc2ccccc21)c1cc(Cl)c2c(c1)OCO2.
What is the InChIKey of N-(benzimidazol-1-yl)-7-chloro-1,3-benzodioxole-5-carboxamide?
The InChIKey is XKDUANMVYVXZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O3/c16-10-5-9(6-13-14(10)22-8-21-13)15(20)18-19-7-17-11-3-1-2-4-12(11)19/h1-7H,8H2,(H,18,20).
What are the key properties of N-(benzimidazol-1-yl)-7-chloro-1,3-benzodioxole-5-carboxamide?
N-(benzimidazol-1-yl)-7-chloro-1,3-benzodioxole-5-carboxamide has a molecular weight of 315.72 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzimidazol-1-yl)-7-chloro-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 34334265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).