N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-chloro-4-methylbenzamide

C17H15ClN4O — CID 162665607

IUPACN-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3cnc(N)[nH]3)cc2)cc1Cl
InChIInChI=1S/C17H15ClN4O/c1-10-2-3-12(8-14(10)18)16(23)21-13-6-4-11(5-7-13)15-9-20-17(19)22-15/h2-9H,1H3,(H,21,23)(H3,19,20,22)
InChIKeyGOTLDNRLDKZUPN-UHFFFAOYSA-N
MW326.79 g/mol
LogP3.87
Rot. Bonds3

About N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-chloro-4-methylbenzamide

N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-chloro-4-methylbenzamide (PubChem CID 162665607) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-chloro-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-chloro-4-methylbenzamide
PubChem CID162665607
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC NameN-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3cnc(N)[nH]3)cc2)cc1Cl
InChIInChI=1S/C17H15ClN4O/c1-10-2-3-12(8-14(10)18)16(23)21-13-6-4-11(5-7-13)15-9-20-17(19)22-15/h2-9H,1H3,(H,21,23)(H3,19,20,22)
InChIKeyGOTLDNRLDKZUPN-UHFFFAOYSA-N
XLogP3.87
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-chloro-4-fluorobenzamide
CID 118711465
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
1-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-(3,4-dichlorophenyl)urea;hydrochloride
CID 162663456
4-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
CID 28914625
N-(5-bromo-6-chloro-3-pyridinyl)-3-chloro-4-methylbenzamide
CID 114050552
4-[(3-chloro-4-methylbenzoyl)amino]benzenesulfonyl chloride
CID 63195185
3-chloro-N-[4-(2-hydroxyethoxy)phenyl]-4-methylbenzamide
CID 111116205
N-(3-amino-4-methylphenyl)-3,4-dichlorobenzamide
CID 24695862
4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 81307032
N-(4-bromo-3-methylphenyl)-3-chloro-4-methylbenzamide
CID 2296154
6-bromo-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 66462281

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-chloro-4-methylbenzamide?
The IUPAC name of N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-chloro-4-methylbenzamide (CID 162665607) is N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-chloro-4-methylbenzamide.
What is the SMILES notation for N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-chloro-4-methylbenzamide?
The canonical SMILES for N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-chloro-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(-c3cnc(N)[nH]3)cc2)cc1Cl.
What is the InChIKey of N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-chloro-4-methylbenzamide?
The InChIKey is GOTLDNRLDKZUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c1-10-2-3-12(8-14(10)18)16(23)21-13-6-4-11(5-7-13)15-9-20-17(19)22-15/h2-9H,1H3,(H,21,23)(H3,19,20,22).
What are the key properties of N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-chloro-4-methylbenzamide?
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-chloro-4-methylbenzamide has a molecular weight of 326.79 g/mol, XLogP of 3.87, 3 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]-3-chloro-4-methylbenzamide is sourced from PubChem (CID 162665607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).