(3S)-N-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide

C19H18FN3O — CID 92746504

IUPAC(3S)-N-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide
SMILESO=C(NCc1cccc(F)c1)[C@H]1CCn2c(nc3ccccc32)C1
InChIInChI=1S/C19H18FN3O/c20-15-5-3-4-13(10-15)12-21-19(24)14-8-9-23-17-7-2-1-6-16(17)22-18(23)11-14/h1-7,10,14H,8-9,11-12H2,(H,21,24)/t14-/m0/s1
InChIKeyYQDGILGMULDBSS-AWEZNQCLSA-N
MW323.37 g/mol
LogP3.05
Rot. Bonds3

About (3S)-N-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide

(3S)-N-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide (PubChem CID 92746504) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is (3S)-N-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide
PubChem CID92746504
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name(3S)-N-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide
SMILESO=C(NCc1cccc(F)c1)[C@H]1CCn2c(nc3ccccc32)C1
InChIInChI=1S/C19H18FN3O/c20-15-5-3-4-13(10-15)12-21-19(24)14-8-9-23-17-7-2-1-6-16(17)22-18(23)11-14/h1-7,10,14H,8-9,11-12H2,(H,21,24)/t14-/m0/s1
InChIKeyYQDGILGMULDBSS-AWEZNQCLSA-N
XLogP3.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide?
The IUPAC name of (3S)-N-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide (CID 92746504) is (3S)-N-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide.
What is the SMILES notation for (3S)-N-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide?
The canonical SMILES for (3S)-N-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide is O=C(NCc1cccc(F)c1)[C@H]1CCn2c(nc3ccccc32)C1.
What is the InChIKey of (3S)-N-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide?
The InChIKey is YQDGILGMULDBSS-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H18FN3O/c20-15-5-3-4-13(10-15)12-21-19(24)14-8-9-23-17-7-2-1-6-16(17)22-18(23)11-14/h1-7,10,14H,8-9,11-12H2,(H,21,24)/t14-/m0/s1.
What are the key properties of (3S)-N-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide?
(3S)-N-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide is sourced from PubChem (CID 92746504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).