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

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Related Compounds

2-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimido[1,2-a]benzimidazole
CID 149013956
1-pyrimido[1,2-a]benzimidazol-2-ylazetidin-3-ol
CID 58362653
2-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)ethane-1,1,1-triol
CID 166811396
2-[4-(2-fluoroethyl)piperidin-1-yl]-7-tritiopyrimido[1,2-a]benzimidazole
CID 140959426
2-[4-[2-(1,1,2-trideuterio-2-(18F)fluoropropoxy)ethyl]piperidin-1-yl]pyrimido[1,2-a]benzimidazole
CID 122520096
5-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 171700855
2-[4-[2-(9H-fluoren-1-yl)ethyl]piperidin-1-yl]pyrimido[1,2-a]benzimidazole
CID 177311837
[1,1-dideuterio-2-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)ethyl] benzoate
CID 155272482
8-methoxy-2-[3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]pyrimido[1,2-a]benzimidazole
CID 177185533
2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole
CID 11851221
7-iodo-2-[4-(3,3,3-trifluoropropyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole
CID 177185512
2-[4-(2-fluoroethyl)piperidin-1-yl]-8-methoxypyrimido[1,2-a]benzimidazole
CID 177185485

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).