2,5-dimethyl-N-[2-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-2-oxoethyl]furan-3-carboxamide

C20H22N4O3 — CID 55893760

IUPAC2,5-dimethyl-N-[2-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-2-oxoethyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)NC(c2ccccc2)c2nccn2C)c(C)o1
InChIInChI=1S/C20H22N4O3/c1-13-11-16(14(2)27-13)20(26)22-12-17(25)23-18(15-7-5-4-6-8-15)19-21-9-10-24(19)3/h4-11,18H,12H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyAHQUCPJONWBUBQ-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.27
Rot. Bonds6

About 2,5-dimethyl-N-[2-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-2-oxoethyl]furan-3-carboxamide

2,5-dimethyl-N-[2-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-2-oxoethyl]furan-3-carboxamide (PubChem CID 55893760) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-2-oxoethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-2-oxoethyl]furan-3-carboxamide
PubChem CID55893760
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name2,5-dimethyl-N-[2-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-2-oxoethyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)NC(c2ccccc2)c2nccn2C)c(C)o1
InChIInChI=1S/C20H22N4O3/c1-13-11-16(14(2)27-13)20(26)22-12-17(25)23-18(15-7-5-4-6-8-15)19-21-9-10-24(19)3/h4-11,18H,12H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyAHQUCPJONWBUBQ-UHFFFAOYSA-N
XLogP2.27
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 47014678
3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 61253020
2,4-difluoro-N-[2-[[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 24609771
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide
CID 40809503
N-[2-[[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 25358696
N-[2-[[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 25369027
[2-[[(R)-(1-methylimidazol-2-yl)-phenylmethyl]amino]-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 41470771
3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17495226
N-[2-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-2-oxoethyl]adamantane-1-carboxamide
CID 42883960
4-(2,5-dimethylphenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide
CID 25334647
3,5-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,2-oxazole-4-carboxamide
CID 75459863
2-chloro-N-[(1S)-3-[[(R)-(1-methylimidazol-2-yl)-phenylmethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 25475792

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-2-oxoethyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-2-oxoethyl]furan-3-carboxamide (CID 55893760) is 2,5-dimethyl-N-[2-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-2-oxoethyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-2-oxoethyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-2-oxoethyl]furan-3-carboxamide is Cc1cc(C(=O)NCC(=O)NC(c2ccccc2)c2nccn2C)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[2-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-2-oxoethyl]furan-3-carboxamide?
The InChIKey is AHQUCPJONWBUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13-11-16(14(2)27-13)20(26)22-12-17(25)23-18(15-7-5-4-6-8-15)19-21-9-10-24(19)3/h4-11,18H,12H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of 2,5-dimethyl-N-[2-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-2-oxoethyl]furan-3-carboxamide?
2,5-dimethyl-N-[2-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-2-oxoethyl]furan-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-2-oxoethyl]furan-3-carboxamide is sourced from PubChem (CID 55893760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).