1-[5-(6,7-dihydro-5H-cyclopenta[f]benzimidazol-1-ylmethyl)-2-[(2S)-oxolan-2-yl]phenyl]-N-methylethanamine

C24H29N3O — CID 73442637

IUPAC1-[5-(6,7-dihydro-5H-cyclopenta[f]benzimidazol-1-ylmethyl)-2-[(2S)-oxolan-2-yl]phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(Cn2cnc3cc4c(cc32)CCC4)ccc1[C@@H]1CCCO1
InChIInChI=1S/C24H29N3O/c1-16(25-2)21-11-17(8-9-20(21)24-7-4-10-28-24)14-27-15-26-22-12-18-5-3-6-19(18)13-23(22)27/h8-9,11-13,15-16,24-25H,3-7,10,14H2,1-2H3/t16?,24-/m0/s1
InChIKeyOKGWVWUNRGQREH-ODOSRFNGSA-N
MW375.52 g/mol
LogP4.71
Rot. Bonds5

About 1-[5-(6,7-dihydro-5H-cyclopenta[f]benzimidazol-1-ylmethyl)-2-[(2S)-oxolan-2-yl]phenyl]-N-methylethanamine

1-[5-(6,7-dihydro-5H-cyclopenta[f]benzimidazol-1-ylmethyl)-2-[(2S)-oxolan-2-yl]phenyl]-N-methylethanamine (PubChem CID 73442637) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 1-[5-(6,7-dihydro-5H-cyclopenta[f]benzimidazol-1-ylmethyl)-2-[(2S)-oxolan-2-yl]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-(6,7-dihydro-5H-cyclopenta[f]benzimidazol-1-ylmethyl)-2-[(2S)-oxolan-2-yl]phenyl]-N-methylethanamine
PubChem CID73442637
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name1-[5-(6,7-dihydro-5H-cyclopenta[f]benzimidazol-1-ylmethyl)-2-[(2S)-oxolan-2-yl]phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(Cn2cnc3cc4c(cc32)CCC4)ccc1[C@@H]1CCCO1
InChIInChI=1S/C24H29N3O/c1-16(25-2)21-11-17(8-9-20(21)24-7-4-10-28-24)14-27-15-26-22-12-18-5-3-6-19(18)13-23(22)27/h8-9,11-13,15-16,24-25H,3-7,10,14H2,1-2H3/t16?,24-/m0/s1
InChIKeyOKGWVWUNRGQREH-ODOSRFNGSA-N
XLogP4.71
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(6,7-dihydro-5H-cyclopenta[f]benzimidazol-1-ylmethyl)-2-[(2S)-oxolan-2-yl]phenyl]-N-methylethanamine?
The IUPAC name of 1-[5-(6,7-dihydro-5H-cyclopenta[f]benzimidazol-1-ylmethyl)-2-[(2S)-oxolan-2-yl]phenyl]-N-methylethanamine (CID 73442637) is 1-[5-(6,7-dihydro-5H-cyclopenta[f]benzimidazol-1-ylmethyl)-2-[(2S)-oxolan-2-yl]phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[5-(6,7-dihydro-5H-cyclopenta[f]benzimidazol-1-ylmethyl)-2-[(2S)-oxolan-2-yl]phenyl]-N-methylethanamine?
The canonical SMILES for 1-[5-(6,7-dihydro-5H-cyclopenta[f]benzimidazol-1-ylmethyl)-2-[(2S)-oxolan-2-yl]phenyl]-N-methylethanamine is CNC(C)c1cc(Cn2cnc3cc4c(cc32)CCC4)ccc1[C@@H]1CCCO1.
What is the InChIKey of 1-[5-(6,7-dihydro-5H-cyclopenta[f]benzimidazol-1-ylmethyl)-2-[(2S)-oxolan-2-yl]phenyl]-N-methylethanamine?
The InChIKey is OKGWVWUNRGQREH-ODOSRFNGSA-N. The full InChI is InChI=1S/C24H29N3O/c1-16(25-2)21-11-17(8-9-20(21)24-7-4-10-28-24)14-27-15-26-22-12-18-5-3-6-19(18)13-23(22)27/h8-9,11-13,15-16,24-25H,3-7,10,14H2,1-2H3/t16?,24-/m0/s1.
What are the key properties of 1-[5-(6,7-dihydro-5H-cyclopenta[f]benzimidazol-1-ylmethyl)-2-[(2S)-oxolan-2-yl]phenyl]-N-methylethanamine?
1-[5-(6,7-dihydro-5H-cyclopenta[f]benzimidazol-1-ylmethyl)-2-[(2S)-oxolan-2-yl]phenyl]-N-methylethanamine has a molecular weight of 375.52 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(6,7-dihydro-5H-cyclopenta[f]benzimidazol-1-ylmethyl)-2-[(2S)-oxolan-2-yl]phenyl]-N-methylethanamine is sourced from PubChem (CID 73442637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).