N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide

C22H26N4O3 — CID 55786680

IUPACN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
SMILESCn1ccnc1COc1ccc(C(=O)NCC(c2ccco2)N2CCCC2)cc1
InChIInChI=1S/C22H26N4O3/c1-25-13-10-23-21(25)16-29-18-8-6-17(7-9-18)22(27)24-15-19(20-5-4-14-28-20)26-11-2-3-12-26/h4-10,13-14,19H,2-3,11-12,15-16H2,1H3,(H,24,27)
InChIKeyCNMNKTUUNCEKRS-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.16
Rot. Bonds8

About N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide (PubChem CID 55786680) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
PubChem CID55786680
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
SMILESCn1ccnc1COc1ccc(C(=O)NCC(c2ccco2)N2CCCC2)cc1
InChIInChI=1S/C22H26N4O3/c1-25-13-10-23-21(25)16-29-18-8-6-17(7-9-18)22(27)24-15-19(20-5-4-14-28-20)26-11-2-3-12-26/h4-10,13-14,19H,2-3,11-12,15-16H2,1H3,(H,24,27)
InChIKeyCNMNKTUUNCEKRS-UHFFFAOYSA-N
XLogP3.16
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-phenylmethoxybenzamide
CID 17390945
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenylmethoxybenzamide
CID 4841525
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(phenoxymethyl)benzamide
CID 8001911
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide
CID 4807751
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-propan-2-yloxybenzamide
CID 26834301
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-pyrazol-1-ylbenzamide
CID 9171895
4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7944545
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4877480
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
3-butoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 45133052
4-acetamido-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 40804110
3,4-diethoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4807732

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
The IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide (CID 55786680) is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide is Cn1ccnc1COc1ccc(C(=O)NCC(c2ccco2)N2CCCC2)cc1.
What is the InChIKey of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
The InChIKey is CNMNKTUUNCEKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-25-13-10-23-21(25)16-29-18-8-6-17(7-9-18)22(27)24-15-19(20-5-4-14-28-20)26-11-2-3-12-26/h4-10,13-14,19H,2-3,11-12,15-16H2,1H3,(H,24,27).
What are the key properties of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide has a molecular weight of 394.48 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide is sourced from PubChem (CID 55786680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).