N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(furan-2-yl)cyclopropane-1-carboxamide

C20H21N3O2 — CID 86852704

IUPACN-[2-(1-benzylimidazol-2-yl)ethyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESO=C(NCCc1nccn1Cc1ccccc1)C1CC1c1ccco1
InChIInChI=1S/C20H21N3O2/c24-20(17-13-16(17)18-7-4-12-25-18)22-9-8-19-21-10-11-23(19)14-15-5-2-1-3-6-15/h1-7,10-12,16-17H,8-9,13-14H2,(H,22,24)
InChIKeyRCUGARXXKIZHQG-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.99
Rot. Bonds7

About N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(furan-2-yl)cyclopropane-1-carboxamide

N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(furan-2-yl)cyclopropane-1-carboxamide (PubChem CID 86852704) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(furan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzylimidazol-2-yl)ethyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
PubChem CID86852704
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[2-(1-benzylimidazol-2-yl)ethyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESO=C(NCCc1nccn1Cc1ccccc1)C1CC1c1ccco1
InChIInChI=1S/C20H21N3O2/c24-20(17-13-16(17)18-7-4-12-25-18)22-9-8-19-21-10-11-23(19)14-15-5-2-1-3-6-15/h1-7,10-12,16-17H,8-9,13-14H2,(H,22,24)
InChIKeyRCUGARXXKIZHQG-UHFFFAOYSA-N
XLogP2.99
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-benzylimidazol-2-yl)ethyl]furan-2-carboxamide
CID 134039640
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(furan-2-yl)propanamide
CID 134027637
N-[2-(1-benzylimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 42951665
N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane
CID 144709422
trans-(1R,2R)-2-(furan-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopropane-1-carboxamide
CID 97030333
2-(furan-2-yl)-N-(2-naphthalen-2-ylethyl)cyclopropane-1-carboxamide
CID 86852820
(1R,2R,4R)-N-[(1-benzylimidazol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 129378072
N-[2-(1-benzylimidazol-2-yl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 134039849
2-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 86851473
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-pyrrolidin-3-ylacetamide
CID 126773827
N-[2-(1-benzylimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126781231
N-[2-(1-benzylimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 134039644

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(furan-2-yl)cyclopropane-1-carboxamide (CID 86852704) is N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(furan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(furan-2-yl)cyclopropane-1-carboxamide is O=C(NCCc1nccn1Cc1ccccc1)C1CC1c1ccco1.
What is the InChIKey of N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is RCUGARXXKIZHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-20(17-13-16(17)18-7-4-12-25-18)22-9-8-19-21-10-11-23(19)14-15-5-2-1-3-6-15/h1-7,10-12,16-17H,8-9,13-14H2,(H,22,24).
What are the key properties of N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(furan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(furan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 86852704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).