2-ethyl-7-[(2-methoxybenzoyl)amino]-N,1-dimethyl-N-(1H-pyrazol-5-ylmethyl)benzimidazole-5-carboxamide

C24H26N6O3 — CID 42483859

IUPAC2-ethyl-7-[(2-methoxybenzoyl)amino]-N,1-dimethyl-N-(1H-pyrazol-5-ylmethyl)benzimidazole-5-carboxamide
SMILESCCc1nc2cc(C(=O)N(C)Cc3ccn[nH]3)cc(NC(=O)c3ccccc3OC)c2n1C
InChIInChI=1S/C24H26N6O3/c1-5-21-26-18-12-15(24(32)29(2)14-16-10-11-25-28-16)13-19(22(18)30(21)3)27-23(31)17-8-6-7-9-20(17)33-4/h6-13H,5,14H2,1-4H3,(H,25,28)(H,27,31)
InChIKeyIISYEPCJRVZAQO-UHFFFAOYSA-N
MW446.51 g/mol
LogP3.39
Rot. Bonds7

About 2-ethyl-7-[(2-methoxybenzoyl)amino]-N,1-dimethyl-N-(1H-pyrazol-5-ylmethyl)benzimidazole-5-carboxamide

2-ethyl-7-[(2-methoxybenzoyl)amino]-N,1-dimethyl-N-(1H-pyrazol-5-ylmethyl)benzimidazole-5-carboxamide (PubChem CID 42483859) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 2-ethyl-7-[(2-methoxybenzoyl)amino]-N,1-dimethyl-N-(1H-pyrazol-5-ylmethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-7-[(2-methoxybenzoyl)amino]-N,1-dimethyl-N-(1H-pyrazol-5-ylmethyl)benzimidazole-5-carboxamide
PubChem CID42483859
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC Name2-ethyl-7-[(2-methoxybenzoyl)amino]-N,1-dimethyl-N-(1H-pyrazol-5-ylmethyl)benzimidazole-5-carboxamide
SMILESCCc1nc2cc(C(=O)N(C)Cc3ccn[nH]3)cc(NC(=O)c3ccccc3OC)c2n1C
InChIInChI=1S/C24H26N6O3/c1-5-21-26-18-12-15(24(32)29(2)14-16-10-11-25-28-16)13-19(22(18)30(21)3)27-23(31)17-8-6-7-9-20(17)33-4/h6-13H,5,14H2,1-4H3,(H,25,28)(H,27,31)
InChIKeyIISYEPCJRVZAQO-UHFFFAOYSA-N
XLogP3.39
TPSA105.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-[(2-methoxybenzoyl)amino]-N,1-dimethyl-N-(1H-pyrazol-5-ylmethyl)benzimidazole-5-carboxamide?
The IUPAC name of 2-ethyl-7-[(2-methoxybenzoyl)amino]-N,1-dimethyl-N-(1H-pyrazol-5-ylmethyl)benzimidazole-5-carboxamide (CID 42483859) is 2-ethyl-7-[(2-methoxybenzoyl)amino]-N,1-dimethyl-N-(1H-pyrazol-5-ylmethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-7-[(2-methoxybenzoyl)amino]-N,1-dimethyl-N-(1H-pyrazol-5-ylmethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 2-ethyl-7-[(2-methoxybenzoyl)amino]-N,1-dimethyl-N-(1H-pyrazol-5-ylmethyl)benzimidazole-5-carboxamide is CCc1nc2cc(C(=O)N(C)Cc3ccn[nH]3)cc(NC(=O)c3ccccc3OC)c2n1C.
What is the InChIKey of 2-ethyl-7-[(2-methoxybenzoyl)amino]-N,1-dimethyl-N-(1H-pyrazol-5-ylmethyl)benzimidazole-5-carboxamide?
The InChIKey is IISYEPCJRVZAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-5-21-26-18-12-15(24(32)29(2)14-16-10-11-25-28-16)13-19(22(18)30(21)3)27-23(31)17-8-6-7-9-20(17)33-4/h6-13H,5,14H2,1-4H3,(H,25,28)(H,27,31).
What are the key properties of 2-ethyl-7-[(2-methoxybenzoyl)amino]-N,1-dimethyl-N-(1H-pyrazol-5-ylmethyl)benzimidazole-5-carboxamide?
2-ethyl-7-[(2-methoxybenzoyl)amino]-N,1-dimethyl-N-(1H-pyrazol-5-ylmethyl)benzimidazole-5-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-[(2-methoxybenzoyl)amino]-N,1-dimethyl-N-(1H-pyrazol-5-ylmethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 42483859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).