N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide

C23H22N4O2 — CID 42819456

IUPACN-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
SMILESCc1ccccc1Cn1ccnc1CN(Cc1cccnc1)C(=O)c1ccco1
InChIInChI=1S/C23H22N4O2/c1-18-6-2-3-8-20(18)16-26-12-11-25-22(26)17-27(15-19-7-4-10-24-14-19)23(28)21-9-5-13-29-21/h2-14H,15-17H2,1H3
InChIKeyICBISBLHDCWUHL-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.07
Rot. Bonds7

About N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide

N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide (PubChem CID 42819456) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
PubChem CID42819456
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC NameN-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
SMILESCc1ccccc1Cn1ccnc1CN(Cc1cccnc1)C(=O)c1ccco1
InChIInChI=1S/C23H22N4O2/c1-18-6-2-3-8-20(18)16-26-12-11-25-22(26)17-27(15-19-7-4-10-24-14-19)23(28)21-9-5-13-29-21/h2-14H,15-17H2,1H3
InChIKeyICBISBLHDCWUHL-UHFFFAOYSA-N
XLogP4.07
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 42819426
1-ethyl-1-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-3-propylurea
CID 24712336
N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylfuran-2-carboxamide
CID 42763815
N-[(1-benzylimidazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 42818587
N-(2-methoxyethyl)-N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]propanamide
CID 42819438
3-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 42198078
N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylfuran-2-carboxamide
CID 42819878
methyl 2-[[2-(pyridin-3-ylmethyl)imidazol-1-yl]methyl]benzoate
CID 82560938
N-[(1-methylimidazol-2-yl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)benzamide
CID 42784648
1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-methylphenyl)methyl]urea
CID 71869773
N-propan-2-yl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 61215927
N-(2-methoxyethyl)-N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide
CID 42819440

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide (CID 42819456) is N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide is Cc1ccccc1Cn1ccnc1CN(Cc1cccnc1)C(=O)c1ccco1.
What is the InChIKey of N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The InChIKey is ICBISBLHDCWUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-18-6-2-3-8-20(18)16-26-12-11-25-22(26)17-27(15-19-7-4-10-24-14-19)23(28)21-9-5-13-29-21/h2-14H,15-17H2,1H3.
What are the key properties of N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 42819456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).