2-[(3S)-3-fluoropyrrolidin-1-yl]pyrimido[1,2-a]benzimidazole

C14H13FN4 — CID 177185487

IUPAC2-[(3S)-3-fluoropyrrolidin-1-yl]pyrimido[1,2-a]benzimidazole
SMILESF[C@H]1CCN(c2ccn3c(n2)nc2ccccc23)C1
InChIInChI=1S/C14H13FN4/c15-10-5-7-18(9-10)13-6-8-19-12-4-2-1-3-11(12)16-14(19)17-13/h1-4,6,8,10H,5,7,9H2/t10-/m0/s1
InChIKeyBDCBDOKUDPTVQH-JTQLQIEISA-N
MW256.28 g/mol
LogP2.43
Rot. Bonds1

About 2-[(3S)-3-fluoropyrrolidin-1-yl]pyrimido[1,2-a]benzimidazole

2-[(3S)-3-fluoropyrrolidin-1-yl]pyrimido[1,2-a]benzimidazole (PubChem CID 177185487) has the molecular formula C14H13FN4 and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-[(3S)-3-fluoropyrrolidin-1-yl]pyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-[(3S)-3-fluoropyrrolidin-1-yl]pyrimido[1,2-a]benzimidazole
PubChem CID177185487
Molecular FormulaC14H13FN4
Molecular Weight256.28 g/mol
Exact Mass256.11
IUPAC Name2-[(3S)-3-fluoropyrrolidin-1-yl]pyrimido[1,2-a]benzimidazole
SMILESF[C@H]1CCN(c2ccn3c(n2)nc2ccccc23)C1
InChIInChI=1S/C14H13FN4/c15-10-5-7-18(9-10)13-6-8-19-12-4-2-1-3-11(12)16-14(19)17-13/h1-4,6,8,10H,5,7,9H2/t10-/m0/s1
InChIKeyBDCBDOKUDPTVQH-JTQLQIEISA-N
XLogP2.43
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(3S)-3-fluoropyrrolidin-1-yl]pyrimido[1,2-a]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-fluoropyrrolidin-1-yl]pyrimido[1,2-a]benzimidazole?
The IUPAC name of 2-[(3S)-3-fluoropyrrolidin-1-yl]pyrimido[1,2-a]benzimidazole (CID 177185487) is 2-[(3S)-3-fluoropyrrolidin-1-yl]pyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 2-[(3S)-3-fluoropyrrolidin-1-yl]pyrimido[1,2-a]benzimidazole?
The canonical SMILES for 2-[(3S)-3-fluoropyrrolidin-1-yl]pyrimido[1,2-a]benzimidazole is F[C@H]1CCN(c2ccn3c(n2)nc2ccccc23)C1.
What is the InChIKey of 2-[(3S)-3-fluoropyrrolidin-1-yl]pyrimido[1,2-a]benzimidazole?
The InChIKey is BDCBDOKUDPTVQH-JTQLQIEISA-N. The full InChI is InChI=1S/C14H13FN4/c15-10-5-7-18(9-10)13-6-8-19-12-4-2-1-3-11(12)16-14(19)17-13/h1-4,6,8,10H,5,7,9H2/t10-/m0/s1.
What are the key properties of 2-[(3S)-3-fluoropyrrolidin-1-yl]pyrimido[1,2-a]benzimidazole?
2-[(3S)-3-fluoropyrrolidin-1-yl]pyrimido[1,2-a]benzimidazole has a molecular weight of 256.28 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-fluoropyrrolidin-1-yl]pyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 177185487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).