N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine

C23H28N4O — CID 120915209

IUPACN-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
SMILESc1ccc2c(c1)ncn2-c1ccc(CNC2CCCC2C2COCCN2)cc1
InChIInChI=1S/C23H28N4O/c1-2-7-23-21(5-1)26-16-27(23)18-10-8-17(9-11-18)14-25-20-6-3-4-19(20)22-15-28-13-12-24-22/h1-2,5,7-11,16,19-20,22,24-25H,3-4,6,12-15H2
InChIKeyPNRISRWQZFIUPK-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.27
Rot. Bonds5

About N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine

N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine (PubChem CID 120915209) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
PubChem CID120915209
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC NameN-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
SMILESc1ccc2c(c1)ncn2-c1ccc(CNC2CCCC2C2COCCN2)cc1
InChIInChI=1S/C23H28N4O/c1-2-7-23-21(5-1)26-16-27(23)18-10-8-17(9-11-18)14-25-20-6-3-4-19(20)22-15-28-13-12-24-22/h1-2,5,7-11,16,19-20,22,24-25H,3-4,6,12-15H2
InChIKeyPNRISRWQZFIUPK-UHFFFAOYSA-N
XLogP3.27
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine?
The IUPAC name of N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine (CID 120915209) is N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine.
What is the SMILES notation for N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine?
The canonical SMILES for N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine is c1ccc2c(c1)ncn2-c1ccc(CNC2CCCC2C2COCCN2)cc1.
What is the InChIKey of N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine?
The InChIKey is PNRISRWQZFIUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-2-7-23-21(5-1)26-16-27(23)18-10-8-17(9-11-18)14-25-20-6-3-4-19(20)22-15-28-13-12-24-22/h1-2,5,7-11,16,19-20,22,24-25H,3-4,6,12-15H2.
What are the key properties of N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine?
N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine has a molecular weight of 376.50 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine is sourced from PubChem (CID 120915209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).