N-propan-2-yl-2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide

C19H26N4O — CID 11255869

IUPACN-propan-2-yl-2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide
SMILESCC(C)NC(=O)c1cccc2[nH]c(C3=CC(C)(C)NC3(C)C)nc12
InChIInChI=1S/C19H26N4O/c1-11(2)20-17(24)12-8-7-9-14-15(12)22-16(21-14)13-10-18(3,4)23-19(13,5)6/h7-11,23H,1-6H3,(H,20,24)(H,21,22)
InChIKeyWBTKCVPWOXYIRK-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.24
Rot. Bonds3

About N-propan-2-yl-2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide

N-propan-2-yl-2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 11255869) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-propan-2-yl-2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide
PubChem CID11255869
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-propan-2-yl-2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide
SMILESCC(C)NC(=O)c1cccc2[nH]c(C3=CC(C)(C)NC3(C)C)nc12
InChIInChI=1S/C19H26N4O/c1-11(2)20-17(24)12-8-7-9-14-15(12)22-16(21-14)13-10-18(3,4)23-19(13,5)6/h7-11,23H,1-6H3,(H,20,24)(H,21,22)
InChIKeyWBTKCVPWOXYIRK-UHFFFAOYSA-N
XLogP3.24
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-propan-2-yl-2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide (CID 11255869) is N-propan-2-yl-2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-propan-2-yl-2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-propan-2-yl-2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide is CC(C)NC(=O)c1cccc2[nH]c(C3=CC(C)(C)NC3(C)C)nc12.
What is the InChIKey of N-propan-2-yl-2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is WBTKCVPWOXYIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-11(2)20-17(24)12-8-7-9-14-15(12)22-16(21-14)13-10-18(3,4)23-19(13,5)6/h7-11,23H,1-6H3,(H,20,24)(H,21,22).
What are the key properties of N-propan-2-yl-2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide?
N-propan-2-yl-2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 11255869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).