N-[(1S)-1-(3-benzamidophenyl)ethyl]-2-methyl-1H-imidazole-5-carboxamide

C20H20N4O2 — CID 95979650

IUPACN-[(1S)-1-(3-benzamidophenyl)ethyl]-2-methyl-1H-imidazole-5-carboxamide
SMILESCc1ncc(C(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)[nH]1
InChIInChI=1S/C20H20N4O2/c1-13(22-20(26)18-12-21-14(2)23-18)16-9-6-10-17(11-16)24-19(25)15-7-4-3-5-8-15/h3-13H,1-2H3,(H,21,23)(H,22,26)(H,24,25)/t13-/m0/s1
InChIKeyQFZQWQSSFSFWCO-ZDUSSCGKSA-N
MW348.41 g/mol
LogP3.46
Rot. Bonds5

About N-[(1S)-1-(3-benzamidophenyl)ethyl]-2-methyl-1H-imidazole-5-carboxamide

N-[(1S)-1-(3-benzamidophenyl)ethyl]-2-methyl-1H-imidazole-5-carboxamide (PubChem CID 95979650) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[(1S)-1-(3-benzamidophenyl)ethyl]-2-methyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-benzamidophenyl)ethyl]-2-methyl-1H-imidazole-5-carboxamide
PubChem CID95979650
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[(1S)-1-(3-benzamidophenyl)ethyl]-2-methyl-1H-imidazole-5-carboxamide
SMILESCc1ncc(C(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)[nH]1
InChIInChI=1S/C20H20N4O2/c1-13(22-20(26)18-12-21-14(2)23-18)16-9-6-10-17(11-16)24-19(25)15-7-4-3-5-8-15/h3-13H,1-2H3,(H,21,23)(H,22,26)(H,24,25)/t13-/m0/s1
InChIKeyQFZQWQSSFSFWCO-ZDUSSCGKSA-N
XLogP3.46
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-benzamidophenyl)ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 55837618
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162
N-[1-(3-benzamidophenyl)ethyl]-4-bromo-5-methyl-1H-pyrazole-3-carboxamide
CID 55884946
N-[1-(3-benzamidophenyl)ethyl]pyrrolidine-1-carboxamide
CID 87003801
2-methyl-N-naphthalen-2-yl-1H-imidazole-5-carboxamide
CID 110467556
N-[3-[(1S)-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]phenyl]benzamide
CID 51725330
N-[3-[1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide
CID 133409464
2-methyl-N-(3-pyrimidin-5-ylphenyl)-1H-imidazole-5-carboxamide
CID 110467649
N-[3-[1-(2-methylprop-2-enylcarbamothioylamino)ethyl]phenyl]benzamide
CID 43077221
N-[1-(3-benzamidophenyl)ethyl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78900692
4-benzamido-N-(1-phenylethyl)benzamide
CID 17153199
N-[3-[1-[(2-naphthalen-1-ylacetyl)amino]ethyl]phenyl]benzamide
CID 46464519

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-benzamidophenyl)ethyl]-2-methyl-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(1S)-1-(3-benzamidophenyl)ethyl]-2-methyl-1H-imidazole-5-carboxamide (CID 95979650) is N-[(1S)-1-(3-benzamidophenyl)ethyl]-2-methyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-benzamidophenyl)ethyl]-2-methyl-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-benzamidophenyl)ethyl]-2-methyl-1H-imidazole-5-carboxamide is Cc1ncc(C(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)[nH]1.
What is the InChIKey of N-[(1S)-1-(3-benzamidophenyl)ethyl]-2-methyl-1H-imidazole-5-carboxamide?
The InChIKey is QFZQWQSSFSFWCO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13(22-20(26)18-12-21-14(2)23-18)16-9-6-10-17(11-16)24-19(25)15-7-4-3-5-8-15/h3-13H,1-2H3,(H,21,23)(H,22,26)(H,24,25)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(3-benzamidophenyl)ethyl]-2-methyl-1H-imidazole-5-carboxamide?
N-[(1S)-1-(3-benzamidophenyl)ethyl]-2-methyl-1H-imidazole-5-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-benzamidophenyl)ethyl]-2-methyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 95979650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).