N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide

C16H14Cl2N4O3 — CID 22663297

IUPACN-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide
SMILESCOCc1nc2c(C(=O)Nc3c(Cl)cncc3Cl)ccc(OC)c2[nH]1
InChIInChI=1S/C16H14Cl2N4O3/c1-24-7-12-20-13-8(3-4-11(25-2)15(13)21-12)16(23)22-14-9(17)5-19-6-10(14)18/h3-6H,7H2,1-2H3,(H,20,21)(H,19,22,23)
InChIKeyAPZGHLKUAICCAJ-UHFFFAOYSA-N
MW381.22 g/mol
LogP3.67
Rot. Bonds5

About N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide

N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide (PubChem CID 22663297) has the molecular formula C16H14Cl2N4O3 and a molecular weight of 381.22 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide
PubChem CID22663297
Molecular FormulaC16H14Cl2N4O3
Molecular Weight381.22 g/mol
Exact Mass380.04
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide
SMILESCOCc1nc2c(C(=O)Nc3c(Cl)cncc3Cl)ccc(OC)c2[nH]1
InChIInChI=1S/C16H14Cl2N4O3/c1-24-7-12-20-13-8(3-4-11(25-2)15(13)21-12)16(23)22-14-9(17)5-19-6-10(14)18/h3-6H,7H2,1-2H3,(H,20,21)(H,19,22,23)
InChIKeyAPZGHLKUAICCAJ-UHFFFAOYSA-N
XLogP3.67
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide (CID 22663297) is N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide is COCc1nc2c(C(=O)Nc3c(Cl)cncc3Cl)ccc(OC)c2[nH]1.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide?
The InChIKey is APZGHLKUAICCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O3/c1-24-7-12-20-13-8(3-4-11(25-2)15(13)21-12)16(23)22-14-9(17)5-19-6-10(14)18/h3-6H,7H2,1-2H3,(H,20,21)(H,19,22,23).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide?
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide has a molecular weight of 381.22 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 22663297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).