N-[1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide

C22H18FN5O2 — CID 18685970

IUPACN-[1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide
SMILESNC(=O)C(Cc1ccc(F)cc1)NC(=O)c1cccc2[nH]c(-c3ccncc3)nc12
InChIInChI=1S/C22H18FN5O2/c23-15-6-4-13(5-7-15)12-18(20(24)29)27-22(30)16-2-1-3-17-19(16)28-21(26-17)14-8-10-25-11-9-14/h1-11,18H,12H2,(H2,24,29)(H,26,28)(H,27,30)
InChIKeyRDTAGOLSWDXYCF-UHFFFAOYSA-N
MW403.42 g/mol
LogP2.59
Rot. Bonds6

About N-[1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide

N-[1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide (PubChem CID 18685970) has the molecular formula C22H18FN5O2 and a molecular weight of 403.42 g/mol. Its IUPAC name is N-[1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide
PubChem CID18685970
Molecular FormulaC22H18FN5O2
Molecular Weight403.42 g/mol
Exact Mass403.14
IUPAC NameN-[1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide
SMILESNC(=O)C(Cc1ccc(F)cc1)NC(=O)c1cccc2[nH]c(-c3ccncc3)nc12
InChIInChI=1S/C22H18FN5O2/c23-15-6-4-13(5-7-15)12-18(20(24)29)27-22(30)16-2-1-3-17-19(16)28-21(26-17)14-8-10-25-11-9-14/h1-11,18H,12H2,(H2,24,29)(H,26,28)(H,27,30)
InChIKeyRDTAGOLSWDXYCF-UHFFFAOYSA-N
XLogP2.59
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide;methane
CID 157227610
N-[(2R)-1-amino-3-(4-nitrophenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide;methane
CID 158249650
N-[1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 18685990
N-[3-(2,3-dihydroxypropoxy)phenyl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide
CID 76739470
N-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide
CID 58279096
N-[1-amino-4-(4-hydroxyphenyl)-1-oxobutan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 18685998
N-[(2S)-1-amino-1-oxo-4-phenylbutan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 59879984
N-(3,4-dihydropyridin-6-yl)-2-(4-ethylphenyl)-1H-benzimidazole-4-carboxamide
CID 90878232
N-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 59880041
N-[1-amino-3-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 18686024
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-phenyl-1H-imidazole-5-carboxamide
CID 25148045
N-[(2S)-1-[[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-(4-fluoroanilino)benzamide
CID 46853789

Frequently Asked Questions

What is the IUPAC name of N-[1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-[1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide (CID 18685970) is N-[1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-[1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-[1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide is NC(=O)C(Cc1ccc(F)cc1)NC(=O)c1cccc2[nH]c(-c3ccncc3)nc12.
What is the InChIKey of N-[1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide?
The InChIKey is RDTAGOLSWDXYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O2/c23-15-6-4-13(5-7-15)12-18(20(24)29)27-22(30)16-2-1-3-17-19(16)28-21(26-17)14-8-10-25-11-9-14/h1-11,18H,12H2,(H2,24,29)(H,26,28)(H,27,30).
What are the key properties of N-[1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide?
N-[1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide has a molecular weight of 403.42 g/mol, XLogP of 2.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 18685970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).