N-[(E,2S)-5-(2-amino-5-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide

C18H18FN5O — CID 178023692

IUPACN-[(E,2S)-5-(2-amino-5-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide
SMILESC[C@@H](C/C=C/c1cc(F)cnc1N)NC(=O)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H18FN5O/c1-11(5-4-6-12-9-13(19)10-21-16(12)20)22-18(25)17-23-14-7-2-3-8-15(14)24-17/h2-4,6-11H,5H2,1H3,(H2,20,21)(H,22,25)(H,23,24)/b6-4+/t11-/m0/s1
InChIKeyFGGAEQUHWSSLIA-MALLOTDXSA-N
MW339.37 g/mol
LogP2.90
Rot. Bonds5

About N-[(E,2S)-5-(2-amino-5-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide

N-[(E,2S)-5-(2-amino-5-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide (PubChem CID 178023692) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[(E,2S)-5-(2-amino-5-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[(E,2S)-5-(2-amino-5-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide
PubChem CID178023692
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC NameN-[(E,2S)-5-(2-amino-5-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide
SMILESC[C@@H](C/C=C/c1cc(F)cnc1N)NC(=O)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H18FN5O/c1-11(5-4-6-12-9-13(19)10-21-16(12)20)22-18(25)17-23-14-7-2-3-8-15(14)24-17/h2-4,6-11H,5H2,1H3,(H2,20,21)(H,22,25)(H,23,24)/b6-4+/t11-/m0/s1
InChIKeyFGGAEQUHWSSLIA-MALLOTDXSA-N
XLogP2.90
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(E,2S)-5-(2-amino-5-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(E,2S)-5-(6-amino-5-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide
CID 178023979
N-[(E,2S)-5-(5-amino-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide
CID 178024274
N-[(E,2S)-5-(6-amino-4-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide
CID 178024052
N-[(E,2S)-5-(6-amino-5-chloro-3-pyridinyl)pent-4-en-2-yl]-6-fluoro-1H-imidazo[4,5-b]pyridine-2-carboxamide
CID 178023761
N-[(E,2S)-5-(6-amino-4,5-dimethoxy-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide
CID 178023775
N-[(E,2S)-5-(6-amino-5-chloro-3-pyridinyl)pent-4-en-2-yl]-4-chloro-1H-benzimidazole-2-carboxamide
CID 178023812
N-[(E,2S)-5-(4-amino-6-methoxypyrimidin-5-yl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide
CID 178024438
N-[(E,2S)-5-(5-cyano-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide
CID 178023743
N-[(2S)-5-(6-amino-5-fluoro-3-pyridinyl)pentan-2-yl]-6-fluoro-1H-imidazo[4,5-b]pyridine-2-carboxamide
CID 178024535
N-[2,2-bis(4-fluorophenyl)-2-hydroxyethyl]-1H-benzimidazole-2-carboxamide
CID 23883158
N-hydroxy-1H-benzimidazole-2-carboxamide
CID 21114230
(3S)-3-[[(2S)-2-(1H-benzimidazole-2-carbonylamino)propanoyl]amino]-5-fluoro-4-oxopentanoic acid
CID 90983656

Frequently Asked Questions

What is the IUPAC name of N-[(E,2S)-5-(2-amino-5-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide?
The IUPAC name of N-[(E,2S)-5-(2-amino-5-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide (CID 178023692) is N-[(E,2S)-5-(2-amino-5-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for N-[(E,2S)-5-(2-amino-5-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide?
The canonical SMILES for N-[(E,2S)-5-(2-amino-5-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide is C[C@@H](C/C=C/c1cc(F)cnc1N)NC(=O)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(E,2S)-5-(2-amino-5-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide?
The InChIKey is FGGAEQUHWSSLIA-MALLOTDXSA-N. The full InChI is InChI=1S/C18H18FN5O/c1-11(5-4-6-12-9-13(19)10-21-16(12)20)22-18(25)17-23-14-7-2-3-8-15(14)24-17/h2-4,6-11H,5H2,1H3,(H2,20,21)(H,22,25)(H,23,24)/b6-4+/t11-/m0/s1.
What are the key properties of N-[(E,2S)-5-(2-amino-5-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide?
N-[(E,2S)-5-(2-amino-5-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,2S)-5-(2-amino-5-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 178023692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).