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

C21H24N4O — CID 46890697

IUPACN-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-pentylbenzamide
SMILESCCCCCc1ccc(C(=O)Nc2ccc(-c3cnc(N)[nH]3)cc2)cc1
InChIInChI=1S/C21H24N4O/c1-2-3-4-5-15-6-8-17(9-7-15)20(26)24-18-12-10-16(11-13-18)19-14-23-21(22)25-19/h6-14H,2-5H2,1H3,(H,24,26)(H3,22,23,25)
InChIKeyZKFIYFPWWXESHP-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.64
Rot. Bonds7

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

N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-pentylbenzamide (PubChem CID 46890697) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-pentylbenzamide.

Molecular Properties

Compound NameN-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-pentylbenzamide
PubChem CID46890697
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-pentylbenzamide
SMILESCCCCCc1ccc(C(=O)Nc2ccc(-c3cnc(N)[nH]3)cc2)cc1
InChIInChI=1S/C21H24N4O/c1-2-3-4-5-15-6-8-17(9-7-15)20(26)24-18-12-10-16(11-13-18)19-14-23-21(22)25-19/h6-14H,2-5H2,1H3,(H,24,26)(H3,22,23,25)
InChIKeyZKFIYFPWWXESHP-UHFFFAOYSA-N
XLogP4.64
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-chlorobenzamide;hydrochloride
CID 118711437
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3,5-dibromobenzamide
CID 118711467
N-(4-ethylphenyl)-4-pentylbenzamide
CID 142206594
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-chloro-4-methylbenzamide
CID 162665607
N-[3,5-bis[[6-(4-pentylphenyl)pyridine-3-carbonyl]amino]phenyl]-6-(4-pentylphenyl)pyridine-3-carboxamide
CID 140904471
N-(4-pentoxyphenyl)-4-(5-pentyl-2-pyridinyl)benzamide
CID 3324314
3-[5-[4-[(4-pentylbenzoyl)amino]phenyl]-1,3-thiazol-2-yl]propanoic acid
CID 56928327
N-(5-bromo-2-pyridinyl)-4-(4-octylphenyl)benzamide
CID 3343388
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide;hydrochloride
CID 118711440
6-oxo-N-(4-pentylphenyl)-1H-pyridine-3-carboxamide
CID 60630583
5-bromo-N-(4-pentylphenyl)pyridine-2-carboxamide
CID 63524951
6-amino-N-(4-propylphenyl)pyridine-3-carboxamide
CID 62154771

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-pentylbenzamide?
The IUPAC name of N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-pentylbenzamide (CID 46890697) is N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-pentylbenzamide.
What is the SMILES notation for N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-pentylbenzamide?
The canonical SMILES for N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-pentylbenzamide is CCCCCc1ccc(C(=O)Nc2ccc(-c3cnc(N)[nH]3)cc2)cc1.
What is the InChIKey of N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-pentylbenzamide?
The InChIKey is ZKFIYFPWWXESHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-2-3-4-5-15-6-8-17(9-7-15)20(26)24-18-12-10-16(11-13-18)19-14-23-21(22)25-19/h6-14H,2-5H2,1H3,(H,24,26)(H3,22,23,25).
What are the key properties of N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-pentylbenzamide?
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-pentylbenzamide has a molecular weight of 348.45 g/mol, XLogP of 4.64, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-pentylbenzamide is sourced from PubChem (CID 46890697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).