N-(1-azabicyclo[3.2.1]octan-5-yl)-4-(benzimidazol-1-yl)benzamide

C21H22N4O — CID 167851757

IUPACN-(1-azabicyclo[3.2.1]octan-5-yl)-4-(benzimidazol-1-yl)benzamide
SMILESO=C(NC12CCCN(CC1)C2)c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C21H22N4O/c26-20(23-21-10-3-12-24(14-21)13-11-21)16-6-8-17(9-7-16)25-15-22-18-4-1-2-5-19(18)25/h1-2,4-9,15H,3,10-14H2,(H,23,26)
InChIKeyJBFVAGLQHUGGLQ-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.99
Rot. Bonds3

About N-(1-azabicyclo[3.2.1]octan-5-yl)-4-(benzimidazol-1-yl)benzamide

N-(1-azabicyclo[3.2.1]octan-5-yl)-4-(benzimidazol-1-yl)benzamide (PubChem CID 167851757) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(1-azabicyclo[3.2.1]octan-5-yl)-4-(benzimidazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(1-azabicyclo[3.2.1]octan-5-yl)-4-(benzimidazol-1-yl)benzamide
PubChem CID167851757
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-(1-azabicyclo[3.2.1]octan-5-yl)-4-(benzimidazol-1-yl)benzamide
SMILESO=C(NC12CCCN(CC1)C2)c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C21H22N4O/c26-20(23-21-10-3-12-24(14-21)13-11-21)16-6-8-17(9-7-16)25-15-22-18-4-1-2-5-19(18)25/h1-2,4-9,15H,3,10-14H2,(H,23,26)
InChIKeyJBFVAGLQHUGGLQ-UHFFFAOYSA-N
XLogP2.99
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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[4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-phenylmethanone
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4-(benzimidazol-1-yl)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[3.2.1]octan-5-yl)-4-(benzimidazol-1-yl)benzamide?
The IUPAC name of N-(1-azabicyclo[3.2.1]octan-5-yl)-4-(benzimidazol-1-yl)benzamide (CID 167851757) is N-(1-azabicyclo[3.2.1]octan-5-yl)-4-(benzimidazol-1-yl)benzamide.
What is the SMILES notation for N-(1-azabicyclo[3.2.1]octan-5-yl)-4-(benzimidazol-1-yl)benzamide?
The canonical SMILES for N-(1-azabicyclo[3.2.1]octan-5-yl)-4-(benzimidazol-1-yl)benzamide is O=C(NC12CCCN(CC1)C2)c1ccc(-n2cnc3ccccc32)cc1.
What is the InChIKey of N-(1-azabicyclo[3.2.1]octan-5-yl)-4-(benzimidazol-1-yl)benzamide?
The InChIKey is JBFVAGLQHUGGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c26-20(23-21-10-3-12-24(14-21)13-11-21)16-6-8-17(9-7-16)25-15-22-18-4-1-2-5-19(18)25/h1-2,4-9,15H,3,10-14H2,(H,23,26).
What are the key properties of N-(1-azabicyclo[3.2.1]octan-5-yl)-4-(benzimidazol-1-yl)benzamide?
N-(1-azabicyclo[3.2.1]octan-5-yl)-4-(benzimidazol-1-yl)benzamide has a molecular weight of 346.43 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[3.2.1]octan-5-yl)-4-(benzimidazol-1-yl)benzamide is sourced from PubChem (CID 167851757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).