N-[2-(1-methyl-5-nitrobenzimidazol-2-yl)ethyl]furan-2-carboxamide

C15H14N4O4 — CID 2975738

IUPACN-[2-(1-methyl-5-nitrobenzimidazol-2-yl)ethyl]furan-2-carboxamide
SMILESCn1c(CCNC(=O)c2ccco2)nc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C15H14N4O4/c1-18-12-5-4-10(19(21)22)9-11(12)17-14(18)6-7-16-15(20)13-3-2-8-23-13/h2-5,8-9H,6-7H2,1H3,(H,16,20)
InChIKeyHHVLNMVHAFBVAU-UHFFFAOYSA-N
MW314.30 g/mol
LogP2.05
Rot. Bonds5

About N-[2-(1-methyl-5-nitrobenzimidazol-2-yl)ethyl]furan-2-carboxamide

N-[2-(1-methyl-5-nitrobenzimidazol-2-yl)ethyl]furan-2-carboxamide (PubChem CID 2975738) has the molecular formula C15H14N4O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is N-[2-(1-methyl-5-nitrobenzimidazol-2-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methyl-5-nitrobenzimidazol-2-yl)ethyl]furan-2-carboxamide
PubChem CID2975738
Molecular FormulaC15H14N4O4
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC NameN-[2-(1-methyl-5-nitrobenzimidazol-2-yl)ethyl]furan-2-carboxamide
SMILESCn1c(CCNC(=O)c2ccco2)nc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C15H14N4O4/c1-18-12-5-4-10(19(21)22)9-11(12)17-14(18)6-7-16-15(20)13-3-2-8-23-13/h2-5,8-9H,6-7H2,1H3,(H,16,20)
InChIKeyHHVLNMVHAFBVAU-UHFFFAOYSA-N
XLogP2.05
TPSA103.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-5-nitrobenzimidazol-2-yl)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(1-methyl-5-nitrobenzimidazol-2-yl)ethyl]furan-2-carboxamide (CID 2975738) is N-[2-(1-methyl-5-nitrobenzimidazol-2-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(1-methyl-5-nitrobenzimidazol-2-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(1-methyl-5-nitrobenzimidazol-2-yl)ethyl]furan-2-carboxamide is Cn1c(CCNC(=O)c2ccco2)nc2cc([N+](=O)[O-])ccc21.
What is the InChIKey of N-[2-(1-methyl-5-nitrobenzimidazol-2-yl)ethyl]furan-2-carboxamide?
The InChIKey is HHVLNMVHAFBVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4/c1-18-12-5-4-10(19(21)22)9-11(12)17-14(18)6-7-16-15(20)13-3-2-8-23-13/h2-5,8-9H,6-7H2,1H3,(H,16,20).
What are the key properties of N-[2-(1-methyl-5-nitrobenzimidazol-2-yl)ethyl]furan-2-carboxamide?
N-[2-(1-methyl-5-nitrobenzimidazol-2-yl)ethyl]furan-2-carboxamide has a molecular weight of 314.30 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyl-5-nitrobenzimidazol-2-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 2975738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).