N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-azabicyclo[3.2.1]octane-5-carboxamide

C22H24N4O — CID 166402905

IUPACN-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-azabicyclo[3.2.1]octane-5-carboxamide
SMILESO=C(NCc1ccc(-n2cnc3ccccc32)cc1)C12CCCN(CC1)C2
InChIInChI=1S/C22H24N4O/c27-21(22-10-3-12-25(15-22)13-11-22)23-14-17-6-8-18(9-7-17)26-16-24-19-4-1-2-5-20(19)26/h1-2,4-9,16H,3,10-15H2,(H,23,27)
InChIKeyUCASBTBYENUJHZ-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.13
Rot. Bonds4

About N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-azabicyclo[3.2.1]octane-5-carboxamide

N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-azabicyclo[3.2.1]octane-5-carboxamide (PubChem CID 166402905) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-azabicyclo[3.2.1]octane-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-azabicyclo[3.2.1]octane-5-carboxamide
PubChem CID166402905
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-azabicyclo[3.2.1]octane-5-carboxamide
SMILESO=C(NCc1ccc(-n2cnc3ccccc32)cc1)C12CCCN(CC1)C2
InChIInChI=1S/C22H24N4O/c27-21(22-10-3-12-25(15-22)13-11-22)23-14-17-6-8-18(9-7-17)26-16-24-19-4-1-2-5-20(19)26/h1-2,4-9,16H,3,10-15H2,(H,23,27)
InChIKeyUCASBTBYENUJHZ-UHFFFAOYSA-N
XLogP3.13
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1-azabicyclo[3.2.1]octane-5-carboxamide;2,2,2-trifluoroacetic acid
CID 166252640
N-(1-azabicyclo[3.2.1]octan-5-yl)-4-(benzimidazol-1-yl)benzamide
CID 167851757
1-[[4-(benzimidazol-1-yl)phenyl]methyl]-3-(2-hydroxyphenyl)urea
CID 169434130
(2R)-N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-methylsulfonylpropanamide
CID 52535721
N-[[4-(benzimidazol-1-yl)phenyl]methyl]pyrazine-2-carboxamide
CID 49004009
7-amino-N-[[4-(benzimidazol-1-yl)phenyl]methyl]heptanamide
CID 119760545
1-[[4-(benzimidazol-1-yl)phenyl]methyl]-3-(3-ethylpyrrol-1-yl)urea
CID 169434122
4-(benzimidazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 24549547
3-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 49133984
(2S)-2-amino-N-[[4-(benzimidazol-1-yl)phenyl]methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119760560
4-(acetamidomethyl)-N-[4-(benzimidazol-1-yl)phenyl]benzamide
CID 39964592
N-[[4-(benzimidazol-1-yl)phenyl]methyl]benzenesulfonamide
CID 166203692

Frequently Asked Questions

What is the IUPAC name of N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-azabicyclo[3.2.1]octane-5-carboxamide?
The IUPAC name of N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-azabicyclo[3.2.1]octane-5-carboxamide (CID 166402905) is N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-azabicyclo[3.2.1]octane-5-carboxamide.
What is the SMILES notation for N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-azabicyclo[3.2.1]octane-5-carboxamide?
The canonical SMILES for N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-azabicyclo[3.2.1]octane-5-carboxamide is O=C(NCc1ccc(-n2cnc3ccccc32)cc1)C12CCCN(CC1)C2.
What is the InChIKey of N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-azabicyclo[3.2.1]octane-5-carboxamide?
The InChIKey is UCASBTBYENUJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c27-21(22-10-3-12-25(15-22)13-11-22)23-14-17-6-8-18(9-7-17)26-16-24-19-4-1-2-5-20(19)26/h1-2,4-9,16H,3,10-15H2,(H,23,27).
What are the key properties of N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-azabicyclo[3.2.1]octane-5-carboxamide?
N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-azabicyclo[3.2.1]octane-5-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-azabicyclo[3.2.1]octane-5-carboxamide is sourced from PubChem (CID 166402905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).