N-(3-chloro-2-methylphenyl)-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine

C15H12ClN3O2 — CID 82562752

IUPACN-(3-chloro-2-methylphenyl)-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
SMILESCc1c(Cl)cccc1Nc1nc2cc3c(cc2[nH]1)OCO3
InChIInChI=1S/C15H12ClN3O2/c1-8-9(16)3-2-4-10(8)17-15-18-11-5-13-14(21-7-20-13)6-12(11)19-15/h2-6H,7H2,1H3,(H2,17,18,19)
InChIKeyCJUUUMLGLQXIBQ-UHFFFAOYSA-N
MW301.73 g/mol
LogP4.00
Rot. Bonds2

About N-(3-chloro-2-methylphenyl)-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine

N-(3-chloro-2-methylphenyl)-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine (PubChem CID 82562752) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
PubChem CID82562752
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC NameN-(3-chloro-2-methylphenyl)-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
SMILESCc1c(Cl)cccc1Nc1nc2cc3c(cc2[nH]1)OCO3
InChIInChI=1S/C15H12ClN3O2/c1-8-9(16)3-2-4-10(8)17-15-18-11-5-13-14(21-7-20-13)6-12(11)19-15/h2-6H,7H2,1H3,(H2,17,18,19)
InChIKeyCJUUUMLGLQXIBQ-UHFFFAOYSA-N
XLogP4.00
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichlorophenyl)-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
CID 82562767
N-cyclopropyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
CID 82562780
N-propyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
CID 82564426
N-(3-bromophenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine
CID 82562882
2-(3-chloro-2-methylanilino)-7-hydroxy-3H-benzimidazole-5-carbonitrile
CID 11437999
N-(2,3-dichlorophenyl)-6-methoxy-1H-benzimidazol-2-amine
CID 82562590
N-[1-(4-methoxyphenyl)ethyl]-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
CID 82562813
N-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine
CID 82564500
N-(2-chlorophenyl)-1H-benzimidazol-2-amine
CID 4088446
N-(3-chloro-2-methylphenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide
CID 3271487
4-N-(3-chloro-2-methylphenyl)-6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrimidine-4,6-diamine
CID 112878074
N-(1,3-benzodioxol-5-yl)-6-(3-chloro-2-methylanilino)pyridazine-3-carboxamide
CID 109128821

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine?
The IUPAC name of N-(3-chloro-2-methylphenyl)-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine (CID 82562752) is N-(3-chloro-2-methylphenyl)-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine is Cc1c(Cl)cccc1Nc1nc2cc3c(cc2[nH]1)OCO3.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine?
The InChIKey is CJUUUMLGLQXIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-8-9(16)3-2-4-10(8)17-15-18-11-5-13-14(21-7-20-13)6-12(11)19-15/h2-6H,7H2,1H3,(H2,17,18,19).
What are the key properties of N-(3-chloro-2-methylphenyl)-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine?
N-(3-chloro-2-methylphenyl)-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine has a molecular weight of 301.73 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine is sourced from PubChem (CID 82562752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).