[4-bromo-5-(1,2-dimethylbenzimidazol-5-yl)-2-methylpyrazol-3-yl]methanamine

C14H16BrN5 — CID 84609849

IUPAC[4-bromo-5-(1,2-dimethylbenzimidazol-5-yl)-2-methylpyrazol-3-yl]methanamine
SMILESCc1nc2cc(-c3nn(C)c(CN)c3Br)ccc2n1C
InChIInChI=1S/C14H16BrN5/c1-8-17-10-6-9(4-5-11(10)19(8)2)14-13(15)12(7-16)20(3)18-14/h4-6H,7,16H2,1-3H3
InChIKeyMWBPQKSHJPLDNR-UHFFFAOYSA-N
MW334.22 g/mol
LogP2.50
Rot. Bonds2

About [4-bromo-5-(1,2-dimethylbenzimidazol-5-yl)-2-methylpyrazol-3-yl]methanamine

[4-bromo-5-(1,2-dimethylbenzimidazol-5-yl)-2-methylpyrazol-3-yl]methanamine (PubChem CID 84609849) has the molecular formula C14H16BrN5 and a molecular weight of 334.22 g/mol. Its IUPAC name is [4-bromo-5-(1,2-dimethylbenzimidazol-5-yl)-2-methylpyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-bromo-5-(1,2-dimethylbenzimidazol-5-yl)-2-methylpyrazol-3-yl]methanamine
PubChem CID84609849
Molecular FormulaC14H16BrN5
Molecular Weight334.22 g/mol
Exact Mass333.06
IUPAC Name[4-bromo-5-(1,2-dimethylbenzimidazol-5-yl)-2-methylpyrazol-3-yl]methanamine
SMILESCc1nc2cc(-c3nn(C)c(CN)c3Br)ccc2n1C
InChIInChI=1S/C14H16BrN5/c1-8-17-10-6-9(4-5-11(10)19(8)2)14-13(15)12(7-16)20(3)18-14/h4-6H,7,16H2,1-3H3
InChIKeyMWBPQKSHJPLDNR-UHFFFAOYSA-N
XLogP2.50
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-bromo-5-(4-methoxy-3-propan-2-ylphenyl)-2-methylpyrazol-3-yl]methanamine
CID 84611620
2-(1,2-dimethylbenzimidazol-5-yl)ethanamine
CID 82255152
1-[4-bromo-2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)pyrazol-3-yl]-N-methylmethanamine
CID 84610335
1-(1,2-dimethylbenzimidazol-5-yl)-N,N-dimethylmethanamine
CID 117043705
(1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazol-2-yl)methanamine
CID 84643893
1,2-dimethyl-5-(2-methylpyrimidin-4-yl)benzimidazole
CID 116903947
1,2-dimethylbenzimidazole-5-thiol
CID 83529809
1-(1,2-dimethylbenzimidazol-5-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116945795
N-(chloromethyl)-1,2-dimethylbenzimidazol-5-amine
CID 115262747
5-[5-(2-aminoethyl)-4-bromo-1-methylpyrazol-3-yl]-3H-1,3-benzoxazol-2-one
CID 84611094
5-(1,2-dimethylbenzimidazol-5-yl)furan-2-carbaldehyde
CID 169334354
5-[4-[6-[4-(1,2-dimethylbenzimidazol-5-yl)phenyl]-9,10-diphenylanthracen-2-yl]phenyl]-1,2-dimethylbenzimidazole
CID 58953632

Frequently Asked Questions

What is the IUPAC name of [4-bromo-5-(1,2-dimethylbenzimidazol-5-yl)-2-methylpyrazol-3-yl]methanamine?
The IUPAC name of [4-bromo-5-(1,2-dimethylbenzimidazol-5-yl)-2-methylpyrazol-3-yl]methanamine (CID 84609849) is [4-bromo-5-(1,2-dimethylbenzimidazol-5-yl)-2-methylpyrazol-3-yl]methanamine.
What is the SMILES notation for [4-bromo-5-(1,2-dimethylbenzimidazol-5-yl)-2-methylpyrazol-3-yl]methanamine?
The canonical SMILES for [4-bromo-5-(1,2-dimethylbenzimidazol-5-yl)-2-methylpyrazol-3-yl]methanamine is Cc1nc2cc(-c3nn(C)c(CN)c3Br)ccc2n1C.
What is the InChIKey of [4-bromo-5-(1,2-dimethylbenzimidazol-5-yl)-2-methylpyrazol-3-yl]methanamine?
The InChIKey is MWBPQKSHJPLDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN5/c1-8-17-10-6-9(4-5-11(10)19(8)2)14-13(15)12(7-16)20(3)18-14/h4-6H,7,16H2,1-3H3.
What are the key properties of [4-bromo-5-(1,2-dimethylbenzimidazol-5-yl)-2-methylpyrazol-3-yl]methanamine?
[4-bromo-5-(1,2-dimethylbenzimidazol-5-yl)-2-methylpyrazol-3-yl]methanamine has a molecular weight of 334.22 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-5-(1,2-dimethylbenzimidazol-5-yl)-2-methylpyrazol-3-yl]methanamine is sourced from PubChem (CID 84609849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).