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

C17H16Cl2N4O2 — CID 22663199

IUPACN-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-propan-2-yl-1H-benzimidazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2nc(C(C)C)[nH]c12
InChIInChI=1S/C17H16Cl2N4O2/c1-8(2)16-21-13-9(4-5-12(25-3)15(13)22-16)17(24)23-14-10(18)6-20-7-11(14)19/h4-8H,1-3H3,(H,21,22)(H,20,23,24)
InChIKeyZDUSDAZRVNATDN-UHFFFAOYSA-N
MW379.25 g/mol
LogP4.65
Rot. Bonds4

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

N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-propan-2-yl-1H-benzimidazole-4-carboxamide (PubChem CID 22663199) has the molecular formula C17H16Cl2N4O2 and a molecular weight of 379.25 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-propan-2-yl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-propan-2-yl-1H-benzimidazole-4-carboxamide
PubChem CID22663199
Molecular FormulaC17H16Cl2N4O2
Molecular Weight379.25 g/mol
Exact Mass378.07
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-propan-2-yl-1H-benzimidazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2nc(C(C)C)[nH]c12
InChIInChI=1S/C17H16Cl2N4O2/c1-8(2)16-21-13-9(4-5-12(25-3)15(13)22-16)17(24)23-14-10(18)6-20-7-11(14)19/h4-8H,1-3H3,(H,21,22)(H,20,23,24)
InChIKeyZDUSDAZRVNATDN-UHFFFAOYSA-N
XLogP4.65
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-propan-2-yl-1H-benzimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-propan-2-yl-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-propan-2-yl-1H-benzimidazole-4-carboxamide (CID 22663199) is N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-propan-2-yl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-propan-2-yl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-propan-2-yl-1H-benzimidazole-4-carboxamide is COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2nc(C(C)C)[nH]c12.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-propan-2-yl-1H-benzimidazole-4-carboxamide?
The InChIKey is ZDUSDAZRVNATDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O2/c1-8(2)16-21-13-9(4-5-12(25-3)15(13)22-16)17(24)23-14-10(18)6-20-7-11(14)19/h4-8H,1-3H3,(H,21,22)(H,20,23,24).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-propan-2-yl-1H-benzimidazole-4-carboxamide?
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-propan-2-yl-1H-benzimidazole-4-carboxamide has a molecular weight of 379.25 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-propan-2-yl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 22663199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).