N-(1-tert-butylbenzimidazol-5-yl)furan-2-carboxamide

C16H17N3O2 — CID 828711

IUPACN-(1-tert-butylbenzimidazol-5-yl)furan-2-carboxamide
SMILESCC(C)(C)n1cnc2cc(NC(=O)c3ccco3)ccc21
InChIInChI=1S/C16H17N3O2/c1-16(2,3)19-10-17-12-9-11(6-7-13(12)19)18-15(20)14-5-4-8-21-14/h4-10H,1-3H3,(H,18,20)
InChIKeyYEPPMPWZLDNTCO-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.64
Rot. Bonds2

About N-(1-tert-butylbenzimidazol-5-yl)furan-2-carboxamide

N-(1-tert-butylbenzimidazol-5-yl)furan-2-carboxamide (PubChem CID 828711) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(1-tert-butylbenzimidazol-5-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(1-tert-butylbenzimidazol-5-yl)furan-2-carboxamide
PubChem CID828711
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-(1-tert-butylbenzimidazol-5-yl)furan-2-carboxamide
SMILESCC(C)(C)n1cnc2cc(NC(=O)c3ccco3)ccc21
InChIInChI=1S/C16H17N3O2/c1-16(2,3)19-10-17-12-9-11(6-7-13(12)19)18-15(20)14-5-4-8-21-14/h4-10H,1-3H3,(H,18,20)
InChIKeyYEPPMPWZLDNTCO-UHFFFAOYSA-N
XLogP3.64
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylbenzimidazol-5-yl)furan-2-carboxamide?
The IUPAC name of N-(1-tert-butylbenzimidazol-5-yl)furan-2-carboxamide (CID 828711) is N-(1-tert-butylbenzimidazol-5-yl)furan-2-carboxamide.
What is the SMILES notation for N-(1-tert-butylbenzimidazol-5-yl)furan-2-carboxamide?
The canonical SMILES for N-(1-tert-butylbenzimidazol-5-yl)furan-2-carboxamide is CC(C)(C)n1cnc2cc(NC(=O)c3ccco3)ccc21.
What is the InChIKey of N-(1-tert-butylbenzimidazol-5-yl)furan-2-carboxamide?
The InChIKey is YEPPMPWZLDNTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-16(2,3)19-10-17-12-9-11(6-7-13(12)19)18-15(20)14-5-4-8-21-14/h4-10H,1-3H3,(H,18,20).
What are the key properties of N-(1-tert-butylbenzimidazol-5-yl)furan-2-carboxamide?
N-(1-tert-butylbenzimidazol-5-yl)furan-2-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylbenzimidazol-5-yl)furan-2-carboxamide is sourced from PubChem (CID 828711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).