2-cyclopropyl-N-(7-fluoro-3-morpholin-4-yl-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-4-amine;ethane

C25H31FN4O2 — CID 170958856

IUPAC2-cyclopropyl-N-(7-fluoro-3-morpholin-4-yl-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-4-amine;ethane
SMILESCC.Fc1ccc2c(c1)OCC(N1CCOCC1)C2Nc1cccc2[nH]c(C3CC3)nc12
InChIInChI=1S/C23H25FN4O2.C2H6/c24-15-6-7-16-20(12-15)30-13-19(28-8-10-29-11-9-28)21(16)25-17-2-1-3-18-22(17)27-23(26-18)14-4-5-14;1-2/h1-3,6-7,12,14,19,21,25H,4-5,8-11,13H2,(H,26,27);1-2H3
InChIKeyKOSNMLCFHSDEIG-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.85
Rot. Bonds4

About 2-cyclopropyl-N-(7-fluoro-3-morpholin-4-yl-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-4-amine;ethane

2-cyclopropyl-N-(7-fluoro-3-morpholin-4-yl-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-4-amine;ethane (PubChem CID 170958856) has the molecular formula C25H31FN4O2 and a molecular weight of 438.55 g/mol. Its IUPAC name is 2-cyclopropyl-N-(7-fluoro-3-morpholin-4-yl-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-4-amine;ethane.

Molecular Properties

Compound Name2-cyclopropyl-N-(7-fluoro-3-morpholin-4-yl-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-4-amine;ethane
PubChem CID170958856
Molecular FormulaC25H31FN4O2
Molecular Weight438.55 g/mol
Exact Mass438.24
IUPAC Name2-cyclopropyl-N-(7-fluoro-3-morpholin-4-yl-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-4-amine;ethane
SMILESCC.Fc1ccc2c(c1)OCC(N1CCOCC1)C2Nc1cccc2[nH]c(C3CC3)nc12
InChIInChI=1S/C23H25FN4O2.C2H6/c24-15-6-7-16-20(12-15)30-13-19(28-8-10-29-11-9-28)21(16)25-17-2-1-3-18-22(17)27-23(26-18)14-4-5-14;1-2/h1-3,6-7,12,14,19,21,25H,4-5,8-11,13H2,(H,26,27);1-2H3
InChIKeyKOSNMLCFHSDEIG-UHFFFAOYSA-N
XLogP4.85
TPSA62.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(7-fluoro-3-morpholin-4-yl-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-4-amine;ethane?
The IUPAC name of 2-cyclopropyl-N-(7-fluoro-3-morpholin-4-yl-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-4-amine;ethane (CID 170958856) is 2-cyclopropyl-N-(7-fluoro-3-morpholin-4-yl-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-4-amine;ethane.
What is the SMILES notation for 2-cyclopropyl-N-(7-fluoro-3-morpholin-4-yl-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-4-amine;ethane?
The canonical SMILES for 2-cyclopropyl-N-(7-fluoro-3-morpholin-4-yl-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-4-amine;ethane is CC.Fc1ccc2c(c1)OCC(N1CCOCC1)C2Nc1cccc2[nH]c(C3CC3)nc12.
What is the InChIKey of 2-cyclopropyl-N-(7-fluoro-3-morpholin-4-yl-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-4-amine;ethane?
The InChIKey is KOSNMLCFHSDEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2.C2H6/c24-15-6-7-16-20(12-15)30-13-19(28-8-10-29-11-9-28)21(16)25-17-2-1-3-18-22(17)27-23(26-18)14-4-5-14;1-2/h1-3,6-7,12,14,19,21,25H,4-5,8-11,13H2,(H,26,27);1-2H3.
What are the key properties of 2-cyclopropyl-N-(7-fluoro-3-morpholin-4-yl-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-4-amine;ethane?
2-cyclopropyl-N-(7-fluoro-3-morpholin-4-yl-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-4-amine;ethane has a molecular weight of 438.55 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(7-fluoro-3-morpholin-4-yl-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-4-amine;ethane is sourced from PubChem (CID 170958856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).