N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-3,5-difluorobenzamide

C19H18F2N4O2 — CID 53199846

IUPACN-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-3,5-difluorobenzamide
SMILESCCCC(NC(=O)c1cc(F)cc(F)c1)C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C19H18F2N4O2/c1-2-5-16(22-17(26)11-8-12(20)10-13(21)9-11)18(27)25-19-23-14-6-3-4-7-15(14)24-19/h3-4,6-10,16H,2,5H2,1H3,(H,22,26)(H2,23,24,25,27)
InChIKeyLBECQIDQWPHYAP-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.38
Rot. Bonds6

About N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-3,5-difluorobenzamide

N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-3,5-difluorobenzamide (PubChem CID 53199846) has the molecular formula C19H18F2N4O2 and a molecular weight of 372.38 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-3,5-difluorobenzamide
PubChem CID53199846
Molecular FormulaC19H18F2N4O2
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC NameN-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-3,5-difluorobenzamide
SMILESCCCC(NC(=O)c1cc(F)cc(F)c1)C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C19H18F2N4O2/c1-2-5-16(22-17(26)11-8-12(20)10-13(21)9-11)18(27)25-19-23-14-6-3-4-7-15(14)24-19/h3-4,6-10,16H,2,5H2,1H3,(H,22,26)(H2,23,24,25,27)
InChIKeyLBECQIDQWPHYAP-UHFFFAOYSA-N
XLogP3.38
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-4-methoxybenzamide
CID 53199867
N-(1H-benzimidazol-2-yl)-2-methylpentanamide
CID 60629405
N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-4-methoxy-2-methylbenzamide
CID 53199853
N-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]benzamide
CID 3639132
N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-3,4,5-trimethoxybenzamide
CID 53199794
N-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-4-phenylbenzamide
CID 5079290
N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-2H-benzotriazole-5-carboxamide
CID 6723713
N-[(1S,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,5-difluorobenzamide
CID 51960123
N-[(2S)-1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 27649409
N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-1,3-benzodioxole-5-carboxamide
CID 6723555
N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]-3-chloro-4-fluorobenzamide
CID 53199813
N-(1H-benzimidazol-2-yl)-3-methylhexanamide
CID 75418801

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-3,5-difluorobenzamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-3,5-difluorobenzamide (CID 53199846) is N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-3,5-difluorobenzamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-3,5-difluorobenzamide is CCCC(NC(=O)c1cc(F)cc(F)c1)C(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-3,5-difluorobenzamide?
The InChIKey is LBECQIDQWPHYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2/c1-2-5-16(22-17(26)11-8-12(20)10-13(21)9-11)18(27)25-19-23-14-6-3-4-7-15(14)24-19/h3-4,6-10,16H,2,5H2,1H3,(H,22,26)(H2,23,24,25,27).
What are the key properties of N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-3,5-difluorobenzamide?
N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-3,5-difluorobenzamide has a molecular weight of 372.38 g/mol, XLogP of 3.38, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-3,5-difluorobenzamide is sourced from PubChem (CID 53199846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).