N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chlorofuran-3-carboxamide

C14H12ClN3O2 — CID 106688409

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-2-chlorofuran-3-carboxamide
SMILESCC(NC(=O)c1ccoc1Cl)c1nc2ccccc2[nH]1
InChIInChI=1S/C14H12ClN3O2/c1-8(16-14(19)9-6-7-20-12(9)15)13-17-10-4-2-3-5-11(10)18-13/h2-8H,1H3,(H,16,19)(H,17,18)
InChIKeyCKGYLLZHCKVQLG-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.30
Rot. Bonds3

About N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chlorofuran-3-carboxamide

N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chlorofuran-3-carboxamide (PubChem CID 106688409) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chlorofuran-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-2-chlorofuran-3-carboxamide
PubChem CID106688409
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-2-chlorofuran-3-carboxamide
SMILESCC(NC(=O)c1ccoc1Cl)c1nc2ccccc2[nH]1
InChIInChI=1S/C14H12ClN3O2/c1-8(16-14(19)9-6-7-20-12(9)15)13-17-10-4-2-3-5-11(10)18-13/h2-8H,1H3,(H,16,19)(H,17,18)
InChIKeyCKGYLLZHCKVQLG-UHFFFAOYSA-N
XLogP3.30
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 920428
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-bromo-2-chlorobenzamide
CID 78806072
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methylfuran-2-carboxamide
CID 47120283
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
CID 25345385
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-chloro-2-fluorobenzamide
CID 17459446
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
CID 17458136
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-bromo-2-chlorobenzamide
CID 60509453
N-[4-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide
CID 46994776
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylsulfonylbenzamide
CID 60620350
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylsulfonylbenzamide
CID 76879730
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-1H-pyrrole-2-carboxamide
CID 60674523

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chlorofuran-3-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chlorofuran-3-carboxamide (CID 106688409) is N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chlorofuran-3-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chlorofuran-3-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chlorofuran-3-carboxamide is CC(NC(=O)c1ccoc1Cl)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chlorofuran-3-carboxamide?
The InChIKey is CKGYLLZHCKVQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c1-8(16-14(19)9-6-7-20-12(9)15)13-17-10-4-2-3-5-11(10)18-13/h2-8H,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chlorofuran-3-carboxamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chlorofuran-3-carboxamide has a molecular weight of 289.72 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chlorofuran-3-carboxamide is sourced from PubChem (CID 106688409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).