N-[2-[4-(methylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.2]octane-2-carboxamide

C24H26N4O2 — CID 58953883

IUPACN-[2-[4-(methylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.2]octane-2-carboxamide
SMILESCNC(=O)c1ccc(-c2nc3ccc(NC(=O)C4CC5CCC4CC5)cc3[nH]2)cc1
InChIInChI=1S/C24H26N4O2/c1-25-23(29)17-8-6-16(7-9-17)22-27-20-11-10-18(13-21(20)28-22)26-24(30)19-12-14-2-4-15(19)5-3-14/h6-11,13-15,19H,2-5,12H2,1H3,(H,25,29)(H,26,30)(H,27,28)
InChIKeyQHPGKJKFLCUYOY-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.35
Rot. Bonds4

About N-[2-[4-(methylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.2]octane-2-carboxamide

N-[2-[4-(methylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.2]octane-2-carboxamide (PubChem CID 58953883) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[2-[4-(methylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.2]octane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(methylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.2]octane-2-carboxamide
PubChem CID58953883
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-[2-[4-(methylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.2]octane-2-carboxamide
SMILESCNC(=O)c1ccc(-c2nc3ccc(NC(=O)C4CC5CCC4CC5)cc3[nH]2)cc1
InChIInChI=1S/C24H26N4O2/c1-25-23(29)17-8-6-16(7-9-17)22-27-20-11-10-18(13-21(20)28-22)26-24(30)19-12-14-2-4-15(19)5-3-14/h6-11,13-15,19H,2-5,12H2,1H3,(H,25,29)(H,26,30)(H,27,28)
InChIKeyQHPGKJKFLCUYOY-UHFFFAOYSA-N
XLogP4.35
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(methylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.2]octane-2-carboxamide?
The IUPAC name of N-[2-[4-(methylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.2]octane-2-carboxamide (CID 58953883) is N-[2-[4-(methylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.2]octane-2-carboxamide.
What is the SMILES notation for N-[2-[4-(methylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.2]octane-2-carboxamide?
The canonical SMILES for N-[2-[4-(methylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.2]octane-2-carboxamide is CNC(=O)c1ccc(-c2nc3ccc(NC(=O)C4CC5CCC4CC5)cc3[nH]2)cc1.
What is the InChIKey of N-[2-[4-(methylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.2]octane-2-carboxamide?
The InChIKey is QHPGKJKFLCUYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-25-23(29)17-8-6-16(7-9-17)22-27-20-11-10-18(13-21(20)28-22)26-24(30)19-12-14-2-4-15(19)5-3-14/h6-11,13-15,19H,2-5,12H2,1H3,(H,25,29)(H,26,30)(H,27,28).
What are the key properties of N-[2-[4-(methylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.2]octane-2-carboxamide?
N-[2-[4-(methylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.2]octane-2-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 4.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(methylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.2]octane-2-carboxamide is sourced from PubChem (CID 58953883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).