N-[4-amino-1-(5-phenyl-1H-imidazol-2-yl)butyl]-2-methoxybenzamide

C21H24N4O2 — CID 170342320

IUPACN-[4-amino-1-(5-phenyl-1H-imidazol-2-yl)butyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(CCCN)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C21H24N4O2/c1-27-19-12-6-5-10-16(19)21(26)25-17(11-7-13-22)20-23-14-18(24-20)15-8-3-2-4-9-15/h2-6,8-10,12,14,17H,7,11,13,22H2,1H3,(H,23,24)(H,25,26)
InChIKeyJDQJGCVPKSSNGT-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.30
Rot. Bonds8

About N-[4-amino-1-(5-phenyl-1H-imidazol-2-yl)butyl]-2-methoxybenzamide

N-[4-amino-1-(5-phenyl-1H-imidazol-2-yl)butyl]-2-methoxybenzamide (PubChem CID 170342320) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[4-amino-1-(5-phenyl-1H-imidazol-2-yl)butyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-amino-1-(5-phenyl-1H-imidazol-2-yl)butyl]-2-methoxybenzamide
PubChem CID170342320
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[4-amino-1-(5-phenyl-1H-imidazol-2-yl)butyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(CCCN)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C21H24N4O2/c1-27-19-12-6-5-10-16(19)21(26)25-17(11-7-13-22)20-23-14-18(24-20)15-8-3-2-4-9-15/h2-6,8-10,12,14,17H,7,11,13,22H2,1H3,(H,23,24)(H,25,26)
InChIKeyJDQJGCVPKSSNGT-UHFFFAOYSA-N
XLogP3.30
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(1-amino-2-fluoroethylidene)amino]-1-(5-phenyl-1H-imidazol-2-yl)butyl]-2-methoxybenzamide
CID 170342277
3-(2-methoxyethoxy)-N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide
CID 51099230
3-(2-methoxyethoxy)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide
CID 94821044
5-amino-1-(2-methoxyphenyl)-2-methylpentan-1-one
CID 116613631
2-iodo-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide
CID 47084192
N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-propan-2-yloxypropanamide
CID 94814571
N-[(1S)-7-(2-fluoro-6-methoxyphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 164973267
N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)nonyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 87331579
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxybenzamide
CID 39370043
tert-butyl N-[1-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]heptyl]carbamate
CID 90777613
methyl 2-methoxy-5-[[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]benzoate
CID 118989126
4-oxo-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 94812869

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-1-(5-phenyl-1H-imidazol-2-yl)butyl]-2-methoxybenzamide?
The IUPAC name of N-[4-amino-1-(5-phenyl-1H-imidazol-2-yl)butyl]-2-methoxybenzamide (CID 170342320) is N-[4-amino-1-(5-phenyl-1H-imidazol-2-yl)butyl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-amino-1-(5-phenyl-1H-imidazol-2-yl)butyl]-2-methoxybenzamide?
The canonical SMILES for N-[4-amino-1-(5-phenyl-1H-imidazol-2-yl)butyl]-2-methoxybenzamide is COc1ccccc1C(=O)NC(CCCN)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of N-[4-amino-1-(5-phenyl-1H-imidazol-2-yl)butyl]-2-methoxybenzamide?
The InChIKey is JDQJGCVPKSSNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-27-19-12-6-5-10-16(19)21(26)25-17(11-7-13-22)20-23-14-18(24-20)15-8-3-2-4-9-15/h2-6,8-10,12,14,17H,7,11,13,22H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N-[4-amino-1-(5-phenyl-1H-imidazol-2-yl)butyl]-2-methoxybenzamide?
N-[4-amino-1-(5-phenyl-1H-imidazol-2-yl)butyl]-2-methoxybenzamide has a molecular weight of 364.45 g/mol, XLogP of 3.30, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-1-(5-phenyl-1H-imidazol-2-yl)butyl]-2-methoxybenzamide is sourced from PubChem (CID 170342320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).