N-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide

C21H23FN4O2 — CID 50752067

IUPACN-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide
SMILESCCCC(=O)Nc1ccc2c(c1)nc(CCNC(=O)c1ccccc1F)n2C
InChIInChI=1S/C21H23FN4O2/c1-3-6-20(27)24-14-9-10-18-17(13-14)25-19(26(18)2)11-12-23-21(28)15-7-4-5-8-16(15)22/h4-5,7-10,13H,3,6,11-12H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyALHRAIJWFQFYOS-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.42
Rot. Bonds7

About N-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide

N-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide (PubChem CID 50752067) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide
PubChem CID50752067
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC NameN-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide
SMILESCCCC(=O)Nc1ccc2c(c1)nc(CCNC(=O)c1ccccc1F)n2C
InChIInChI=1S/C21H23FN4O2/c1-3-6-20(27)24-14-9-10-18-17(13-14)25-19(26(18)2)11-12-23-21(28)15-7-4-5-8-16(15)22/h4-5,7-10,13H,3,6,11-12H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyALHRAIJWFQFYOS-UHFFFAOYSA-N
XLogP3.42
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[5-[(2-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide
CID 50751454
2-fluoro-N-[2-[1-methyl-5-[(3-methylbenzoyl)amino]benzimidazol-2-yl]ethyl]benzamide
CID 50751442
3-fluoro-N-[2-[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]ethyl]benzamide
CID 46270387
N-[2-[5-[(3-bromobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-3-fluorobenzamide
CID 46270397
2-methoxy-N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]benzamide
CID 4895369
N-[2-[1-methyl-5-(pentanoylamino)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 46270443
N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide
CID 4889006
N-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]propanamide
CID 4890018
N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-2-chlorobenzamide
CID 4886625
N-[2-[2-[(3-fluorobenzoyl)amino]ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide
CID 46270391
N-[2-[2-(2-ethylbutanoylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide
CID 50751836
N-[2-[5-(2,2-dimethylpropanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-methoxybenzamide
CID 46270417

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide (CID 50752067) is N-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide is CCCC(=O)Nc1ccc2c(c1)nc(CCNC(=O)c1ccccc1F)n2C.
What is the InChIKey of N-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide?
The InChIKey is ALHRAIJWFQFYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-3-6-20(27)24-14-9-10-18-17(13-14)25-19(26(18)2)11-12-23-21(28)15-7-4-5-8-16(15)22/h4-5,7-10,13H,3,6,11-12H2,1-2H3,(H,23,28)(H,24,27).
What are the key properties of N-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide?
N-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide has a molecular weight of 382.44 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide is sourced from PubChem (CID 50752067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).