N-(3-chloro-5-methylphenyl)-1H-imidazol-5-amine

C10H10ClN3 — CID 56975716

IUPACN-(3-chloro-5-methylphenyl)-1H-imidazol-5-amine
SMILESCc1cc(Cl)cc(Nc2cnc[nH]2)c1
InChIInChI=1S/C10H10ClN3/c1-7-2-8(11)4-9(3-7)14-10-5-12-6-13-10/h2-6,14H,1H3,(H,12,13)
InChIKeyAPBTUKVQSQYJOH-UHFFFAOYSA-N
MW207.66 g/mol
LogP3.12
Rot. Bonds2

About N-(3-chloro-5-methylphenyl)-1H-imidazol-5-amine

N-(3-chloro-5-methylphenyl)-1H-imidazol-5-amine (PubChem CID 56975716) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is N-(3-chloro-5-methylphenyl)-1H-imidazol-5-amine.

Molecular Properties

Compound NameN-(3-chloro-5-methylphenyl)-1H-imidazol-5-amine
PubChem CID56975716
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC NameN-(3-chloro-5-methylphenyl)-1H-imidazol-5-amine
SMILESCc1cc(Cl)cc(Nc2cnc[nH]2)c1
InChIInChI=1S/C10H10ClN3/c1-7-2-8(11)4-9(3-7)14-10-5-12-6-13-10/h2-6,14H,1H3,(H,12,13)
InChIKeyAPBTUKVQSQYJOH-UHFFFAOYSA-N
XLogP3.12
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-methylphenyl)-1H-imidazol-5-amine?
The IUPAC name of N-(3-chloro-5-methylphenyl)-1H-imidazol-5-amine (CID 56975716) is N-(3-chloro-5-methylphenyl)-1H-imidazol-5-amine.
What is the SMILES notation for N-(3-chloro-5-methylphenyl)-1H-imidazol-5-amine?
The canonical SMILES for N-(3-chloro-5-methylphenyl)-1H-imidazol-5-amine is Cc1cc(Cl)cc(Nc2cnc[nH]2)c1.
What is the InChIKey of N-(3-chloro-5-methylphenyl)-1H-imidazol-5-amine?
The InChIKey is APBTUKVQSQYJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c1-7-2-8(11)4-9(3-7)14-10-5-12-6-13-10/h2-6,14H,1H3,(H,12,13).
What are the key properties of N-(3-chloro-5-methylphenyl)-1H-imidazol-5-amine?
N-(3-chloro-5-methylphenyl)-1H-imidazol-5-amine has a molecular weight of 207.66 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-methylphenyl)-1H-imidazol-5-amine is sourced from PubChem (CID 56975716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).