N-[2-(5-benzamido-1-methylbenzimidazol-2-yl)ethyl]furan-2-carboxamide

C22H20N4O3 — CID 4972167

IUPACN-[2-(5-benzamido-1-methylbenzimidazol-2-yl)ethyl]furan-2-carboxamide
SMILESCn1c(CCNC(=O)c2ccco2)nc2cc(NC(=O)c3ccccc3)ccc21
InChIInChI=1S/C22H20N4O3/c1-26-18-10-9-16(24-21(27)15-6-3-2-4-7-15)14-17(18)25-20(26)11-12-23-22(28)19-8-5-13-29-19/h2-10,13-14H,11-12H2,1H3,(H,23,28)(H,24,27)
InChIKeyPGIKSJLKKISAAV-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.39
Rot. Bonds6

About N-[2-(5-benzamido-1-methylbenzimidazol-2-yl)ethyl]furan-2-carboxamide

N-[2-(5-benzamido-1-methylbenzimidazol-2-yl)ethyl]furan-2-carboxamide (PubChem CID 4972167) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[2-(5-benzamido-1-methylbenzimidazol-2-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-benzamido-1-methylbenzimidazol-2-yl)ethyl]furan-2-carboxamide
PubChem CID4972167
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC NameN-[2-(5-benzamido-1-methylbenzimidazol-2-yl)ethyl]furan-2-carboxamide
SMILESCn1c(CCNC(=O)c2ccco2)nc2cc(NC(=O)c3ccccc3)ccc21
InChIInChI=1S/C22H20N4O3/c1-26-18-10-9-16(24-21(27)15-6-3-2-4-7-15)14-17(18)25-20(26)11-12-23-22(28)19-8-5-13-29-19/h2-10,13-14H,11-12H2,1H3,(H,23,28)(H,24,27)
InChIKeyPGIKSJLKKISAAV-UHFFFAOYSA-N
XLogP3.39
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-benzamido-1-methylbenzimidazol-2-yl)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(5-benzamido-1-methylbenzimidazol-2-yl)ethyl]furan-2-carboxamide (CID 4972167) is N-[2-(5-benzamido-1-methylbenzimidazol-2-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(5-benzamido-1-methylbenzimidazol-2-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(5-benzamido-1-methylbenzimidazol-2-yl)ethyl]furan-2-carboxamide is Cn1c(CCNC(=O)c2ccco2)nc2cc(NC(=O)c3ccccc3)ccc21.
What is the InChIKey of N-[2-(5-benzamido-1-methylbenzimidazol-2-yl)ethyl]furan-2-carboxamide?
The InChIKey is PGIKSJLKKISAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-26-18-10-9-16(24-21(27)15-6-3-2-4-7-15)14-17(18)25-20(26)11-12-23-22(28)19-8-5-13-29-19/h2-10,13-14H,11-12H2,1H3,(H,23,28)(H,24,27).
What are the key properties of N-[2-(5-benzamido-1-methylbenzimidazol-2-yl)ethyl]furan-2-carboxamide?
N-[2-(5-benzamido-1-methylbenzimidazol-2-yl)ethyl]furan-2-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-benzamido-1-methylbenzimidazol-2-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 4972167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).