6-methyl-2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-1H-benzimidazole-4-carboxamide

C26H24N4O2 — CID 122182316

IUPAC6-methyl-2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-1H-benzimidazole-4-carboxamide
SMILESCc1cc(C(N)=O)c2nc(-c3ccc(-c4ccc(C(=O)N5CCCC5)cc4)cc3)[nH]c2c1
InChIInChI=1S/C26H24N4O2/c1-16-14-21(24(27)31)23-22(15-16)28-25(29-23)19-8-4-17(5-9-19)18-6-10-20(11-7-18)26(32)30-12-2-3-13-30/h4-11,14-15H,2-3,12-13H2,1H3,(H2,27,31)(H,28,29)
InChIKeyKLMRXJKQZZVFIC-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.54
Rot. Bonds4

About 6-methyl-2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-1H-benzimidazole-4-carboxamide

6-methyl-2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-1H-benzimidazole-4-carboxamide (PubChem CID 122182316) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 6-methyl-2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-1H-benzimidazole-4-carboxamide
PubChem CID122182316
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name6-methyl-2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-1H-benzimidazole-4-carboxamide
SMILESCc1cc(C(N)=O)c2nc(-c3ccc(-c4ccc(C(=O)N5CCCC5)cc4)cc3)[nH]c2c1
InChIInChI=1S/C26H24N4O2/c1-16-14-21(24(27)31)23-22(15-16)28-25(29-23)19-8-4-17(5-9-19)18-6-10-20(11-7-18)26(32)30-12-2-3-13-30/h4-11,14-15H,2-3,12-13H2,1H3,(H2,27,31)(H,28,29)
InChIKeyKLMRXJKQZZVFIC-UHFFFAOYSA-N
XLogP4.54
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 6-methyl-2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-1H-benzimidazole-4-carboxamide (CID 122182316) is 6-methyl-2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 6-methyl-2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 6-methyl-2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-1H-benzimidazole-4-carboxamide is Cc1cc(C(N)=O)c2nc(-c3ccc(-c4ccc(C(=O)N5CCCC5)cc4)cc3)[nH]c2c1.
What is the InChIKey of 6-methyl-2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is KLMRXJKQZZVFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-16-14-21(24(27)31)23-22(15-16)28-25(29-23)19-8-4-17(5-9-19)18-6-10-20(11-7-18)26(32)30-12-2-3-13-30/h4-11,14-15H,2-3,12-13H2,1H3,(H2,27,31)(H,28,29).
What are the key properties of 6-methyl-2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-1H-benzimidazole-4-carboxamide?
6-methyl-2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 122182316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).