1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazole-5-carboxamide

C24H29N5O2 — CID 20814021

IUPAC1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazole-5-carboxamide
SMILESCC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2cc(C(N)=O)ccc21
InChIInChI=1S/C24H29N5O2/c1-15(2)11-12-27-19-10-9-17(23(25)30)13-18(19)26-22(27)14-28-20-7-5-6-8-21(20)29(16(3)4)24(28)31/h5-10,13,15-16H,11-12,14H2,1-4H3,(H2,25,30)
InChIKeyOCRFZPYEMMCGLK-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.93
Rot. Bonds7

About 1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazole-5-carboxamide

1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazole-5-carboxamide (PubChem CID 20814021) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazole-5-carboxamide
PubChem CID20814021
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazole-5-carboxamide
SMILESCC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2cc(C(N)=O)ccc21
InChIInChI=1S/C24H29N5O2/c1-15(2)11-12-27-19-10-9-17(23(25)30)13-18(19)26-22(27)14-28-20-7-5-6-8-21(20)29(16(3)4)24(28)31/h5-10,13,15-16H,11-12,14H2,1-4H3,(H2,25,30)
InChIKeyOCRFZPYEMMCGLK-UHFFFAOYSA-N
XLogP3.93
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazole-5-carboxamide?
The IUPAC name of 1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazole-5-carboxamide (CID 20814021) is 1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazole-5-carboxamide is CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2cc(C(N)=O)ccc21.
What is the InChIKey of 1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazole-5-carboxamide?
The InChIKey is OCRFZPYEMMCGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-15(2)11-12-27-19-10-9-17(23(25)30)13-18(19)26-22(27)14-28-20-7-5-6-8-21(20)29(16(3)4)24(28)31/h5-10,13,15-16H,11-12,14H2,1-4H3,(H2,25,30).
What are the key properties of 1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazole-5-carboxamide?
1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazole-5-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 20814021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).