N-[2-[5-[(4-fluorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide

C22H19FN4O3 — CID 2973573

IUPACN-[2-[5-[(4-fluorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESCn1c(CCNC(=O)c2ccco2)nc2cc(NC(=O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C22H19FN4O3/c1-27-18-9-8-16(25-21(28)14-4-6-15(23)7-5-14)13-17(18)26-20(27)10-11-24-22(29)19-3-2-12-30-19/h2-9,12-13H,10-11H2,1H3,(H,24,29)(H,25,28)
InChIKeyCRDLRALNYVFOLY-UHFFFAOYSA-N
MW406.42 g/mol
LogP3.53
Rot. Bonds6

About N-[2-[5-[(4-fluorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide

N-[2-[5-[(4-fluorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide (PubChem CID 2973573) has the molecular formula C22H19FN4O3 and a molecular weight of 406.42 g/mol. Its IUPAC name is N-[2-[5-[(4-fluorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[5-[(4-fluorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide
PubChem CID2973573
Molecular FormulaC22H19FN4O3
Molecular Weight406.42 g/mol
Exact Mass406.14
IUPAC NameN-[2-[5-[(4-fluorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESCn1c(CCNC(=O)c2ccco2)nc2cc(NC(=O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C22H19FN4O3/c1-27-18-9-8-16(25-21(28)14-4-6-15(23)7-5-14)13-17(18)26-20(27)10-11-24-22(29)19-3-2-12-30-19/h2-9,12-13H,10-11H2,1H3,(H,24,29)(H,25,28)
InChIKeyCRDLRALNYVFOLY-UHFFFAOYSA-N
XLogP3.53
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(4-fluorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[5-[(4-fluorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide (CID 2973573) is N-[2-[5-[(4-fluorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[5-[(4-fluorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[5-[(4-fluorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide is Cn1c(CCNC(=O)c2ccco2)nc2cc(NC(=O)c3ccc(F)cc3)ccc21.
What is the InChIKey of N-[2-[5-[(4-fluorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide?
The InChIKey is CRDLRALNYVFOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3/c1-27-18-9-8-16(25-21(28)14-4-6-15(23)7-5-14)13-17(18)26-20(27)10-11-24-22(29)19-3-2-12-30-19/h2-9,12-13H,10-11H2,1H3,(H,24,29)(H,25,28).
What are the key properties of N-[2-[5-[(4-fluorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide?
N-[2-[5-[(4-fluorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide has a molecular weight of 406.42 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(4-fluorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 2973573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).