2-[4-(aminomethyl)imidazol-1-yl]-N-[(1R)-1-phenylethyl]benzamide

C19H20N4O — CID 110121933

IUPAC2-[4-(aminomethyl)imidazol-1-yl]-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1-n1cnc(CN)c1)c1ccccc1
InChIInChI=1S/C19H20N4O/c1-14(15-7-3-2-4-8-15)22-19(24)17-9-5-6-10-18(17)23-12-16(11-20)21-13-23/h2-10,12-14H,11,20H2,1H3,(H,22,24)/t14-/m1/s1
InChIKeyBVALRGCLZDJXMF-CQSZACIVSA-N
MW320.40 g/mol
LogP2.82
Rot. Bonds5

About 2-[4-(aminomethyl)imidazol-1-yl]-N-[(1R)-1-phenylethyl]benzamide

2-[4-(aminomethyl)imidazol-1-yl]-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 110121933) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[4-(aminomethyl)imidazol-1-yl]-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)imidazol-1-yl]-N-[(1R)-1-phenylethyl]benzamide
PubChem CID110121933
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-[4-(aminomethyl)imidazol-1-yl]-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1-n1cnc(CN)c1)c1ccccc1
InChIInChI=1S/C19H20N4O/c1-14(15-7-3-2-4-8-15)22-19(24)17-9-5-6-10-18(17)23-12-16(11-20)21-13-23/h2-10,12-14H,11,20H2,1H3,(H,22,24)/t14-/m1/s1
InChIKeyBVALRGCLZDJXMF-CQSZACIVSA-N
XLogP2.82
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-N,4-N-bis[(1R)-1-phenylethyl]pyrazole-3,4-dicarboxamide
CID 29097432
2-N-(1-phenylethyl)benzene-1,2-dicarboxamide
CID 22396198
2-(aminomethyl)-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 114326595
2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
CID 570721
2-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248479
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
N-(1-phenylethyl)-2-sulfanylbenzamide
CID 113218601
2-chloro-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide
CID 7657098
2-[[(1S)-1-phenylethyl]carbamoyl]benzoate
CID 6929624
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982
5-(aminomethyl)-N-[(1R)-1-phenylethyl]pyridine-2-carboxamide
CID 107863938
2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]benzoic acid
CID 81356390

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)imidazol-1-yl]-N-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of 2-[4-(aminomethyl)imidazol-1-yl]-N-[(1R)-1-phenylethyl]benzamide (CID 110121933) is 2-[4-(aminomethyl)imidazol-1-yl]-N-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for 2-[4-(aminomethyl)imidazol-1-yl]-N-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for 2-[4-(aminomethyl)imidazol-1-yl]-N-[(1R)-1-phenylethyl]benzamide is C[C@@H](NC(=O)c1ccccc1-n1cnc(CN)c1)c1ccccc1.
What is the InChIKey of 2-[4-(aminomethyl)imidazol-1-yl]-N-[(1R)-1-phenylethyl]benzamide?
The InChIKey is BVALRGCLZDJXMF-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20N4O/c1-14(15-7-3-2-4-8-15)22-19(24)17-9-5-6-10-18(17)23-12-16(11-20)21-13-23/h2-10,12-14H,11,20H2,1H3,(H,22,24)/t14-/m1/s1.
What are the key properties of 2-[4-(aminomethyl)imidazol-1-yl]-N-[(1R)-1-phenylethyl]benzamide?
2-[4-(aminomethyl)imidazol-1-yl]-N-[(1R)-1-phenylethyl]benzamide has a molecular weight of 320.40 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)imidazol-1-yl]-N-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 110121933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).