N-[4-(2-methylimidazol-1-yl)phenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

C20H22N4O2 — CID 35532104

IUPACN-[4-(2-methylimidazol-1-yl)phenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
SMILESCc1nccn1-c1ccc(NC(=O)c2ccc(CN3CCCC3)o2)cc1
InChIInChI=1S/C20H22N4O2/c1-15-21-10-13-24(15)17-6-4-16(5-7-17)22-20(25)19-9-8-18(26-19)14-23-11-2-3-12-23/h4-10,13H,2-3,11-12,14H2,1H3,(H,22,25)
InChIKeySBSOLNPTJWRSJK-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.62
Rot. Bonds5

About N-[4-(2-methylimidazol-1-yl)phenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

N-[4-(2-methylimidazol-1-yl)phenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide (PubChem CID 35532104) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[4-(2-methylimidazol-1-yl)phenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methylimidazol-1-yl)phenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
PubChem CID35532104
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[4-(2-methylimidazol-1-yl)phenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
SMILESCc1nccn1-c1ccc(NC(=O)c2ccc(CN3CCCC3)o2)cc1
InChIInChI=1S/C20H22N4O2/c1-15-21-10-13-24(15)17-6-4-16(5-7-17)22-20(25)19-9-8-18(26-19)14-23-11-2-3-12-23/h4-10,13H,2-3,11-12,14H2,1H3,(H,22,25)
InChIKeySBSOLNPTJWRSJK-UHFFFAOYSA-N
XLogP3.62
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]furan-2-carboxamide
CID 35537106
1-(1-benzofuran-2-ylmethyl)-N-[4-(2-methylimidazol-1-yl)phenyl]piperidine-3-carboxamide
CID 45217335
5-ethyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide
CID 56784420
N-[3-(5-methyltetrazol-1-yl)phenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 131901993
N-[4-(2-methylimidazol-1-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
CID 24790225
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5-(hydroxymethyl)furan-2-carboxamide
CID 166340595
N-(3-acetylphenyl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 35336962
N-(1-methylpyrazol-3-yl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416098
2-ethyl-N-[3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]phenyl]pyrazole-3-carboxamide
CID 19416107
5-[(4-methoxyphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]furan-2-carboxamide
CID 19451165
4-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 71691428
N-ethyl-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416150

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylimidazol-1-yl)phenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[4-(2-methylimidazol-1-yl)phenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide (CID 35532104) is N-[4-(2-methylimidazol-1-yl)phenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[4-(2-methylimidazol-1-yl)phenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[4-(2-methylimidazol-1-yl)phenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide is Cc1nccn1-c1ccc(NC(=O)c2ccc(CN3CCCC3)o2)cc1.
What is the InChIKey of N-[4-(2-methylimidazol-1-yl)phenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The InChIKey is SBSOLNPTJWRSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-15-21-10-13-24(15)17-6-4-16(5-7-17)22-20(25)19-9-8-18(26-19)14-23-11-2-3-12-23/h4-10,13H,2-3,11-12,14H2,1H3,(H,22,25).
What are the key properties of N-[4-(2-methylimidazol-1-yl)phenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
N-[4-(2-methylimidazol-1-yl)phenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylimidazol-1-yl)phenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 35532104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).