N-[2-[2-[(3-fluorobenzoyl)amino]ethyl]-1-methylbenzimidazol-5-yl]oxolane-2-carboxamide

C22H23FN4O3 — CID 46270400

IUPACN-[2-[2-[(3-fluorobenzoyl)amino]ethyl]-1-methylbenzimidazol-5-yl]oxolane-2-carboxamide
SMILESCn1c(CCNC(=O)c2cccc(F)c2)nc2cc(NC(=O)C3CCCO3)ccc21
InChIInChI=1S/C22H23FN4O3/c1-27-18-8-7-16(25-22(29)19-6-3-11-30-19)13-17(18)26-20(27)9-10-24-21(28)14-4-2-5-15(23)12-14/h2,4-5,7-8,12-13,19H,3,6,9-11H2,1H3,(H,24,28)(H,25,29)
InChIKeyDSKXTIGFTCZFEJ-UHFFFAOYSA-N
MW410.45 g/mol
LogP2.80
Rot. Bonds6

About N-[2-[2-[(3-fluorobenzoyl)amino]ethyl]-1-methylbenzimidazol-5-yl]oxolane-2-carboxamide

N-[2-[2-[(3-fluorobenzoyl)amino]ethyl]-1-methylbenzimidazol-5-yl]oxolane-2-carboxamide (PubChem CID 46270400) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is N-[2-[2-[(3-fluorobenzoyl)amino]ethyl]-1-methylbenzimidazol-5-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[(3-fluorobenzoyl)amino]ethyl]-1-methylbenzimidazol-5-yl]oxolane-2-carboxamide
PubChem CID46270400
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC NameN-[2-[2-[(3-fluorobenzoyl)amino]ethyl]-1-methylbenzimidazol-5-yl]oxolane-2-carboxamide
SMILESCn1c(CCNC(=O)c2cccc(F)c2)nc2cc(NC(=O)C3CCCO3)ccc21
InChIInChI=1S/C22H23FN4O3/c1-27-18-8-7-16(25-22(29)19-6-3-11-30-19)13-17(18)26-20(27)9-10-24-21(28)14-4-2-5-15(23)12-14/h2,4-5,7-8,12-13,19H,3,6,9-11H2,1H3,(H,24,28)(H,25,29)
InChIKeyDSKXTIGFTCZFEJ-UHFFFAOYSA-N
XLogP2.80
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(3-fluorobenzoyl)amino]ethyl]-1-methylbenzimidazol-5-yl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[2-[(3-fluorobenzoyl)amino]ethyl]-1-methylbenzimidazol-5-yl]oxolane-2-carboxamide (CID 46270400) is N-[2-[2-[(3-fluorobenzoyl)amino]ethyl]-1-methylbenzimidazol-5-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[2-[(3-fluorobenzoyl)amino]ethyl]-1-methylbenzimidazol-5-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[2-[(3-fluorobenzoyl)amino]ethyl]-1-methylbenzimidazol-5-yl]oxolane-2-carboxamide is Cn1c(CCNC(=O)c2cccc(F)c2)nc2cc(NC(=O)C3CCCO3)ccc21.
What is the InChIKey of N-[2-[2-[(3-fluorobenzoyl)amino]ethyl]-1-methylbenzimidazol-5-yl]oxolane-2-carboxamide?
The InChIKey is DSKXTIGFTCZFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-27-18-8-7-16(25-22(29)19-6-3-11-30-19)13-17(18)26-20(27)9-10-24-21(28)14-4-2-5-15(23)12-14/h2,4-5,7-8,12-13,19H,3,6,9-11H2,1H3,(H,24,28)(H,25,29).
What are the key properties of N-[2-[2-[(3-fluorobenzoyl)amino]ethyl]-1-methylbenzimidazol-5-yl]oxolane-2-carboxamide?
N-[2-[2-[(3-fluorobenzoyl)amino]ethyl]-1-methylbenzimidazol-5-yl]oxolane-2-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(3-fluorobenzoyl)amino]ethyl]-1-methylbenzimidazol-5-yl]oxolane-2-carboxamide is sourced from PubChem (CID 46270400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).