(5-bromo-1-cyclopropylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine

C15H16BrN5 — CID 115288605

IUPAC(5-bromo-1-cyclopropylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine
SMILESCn1cc(C(N)c2nc3cc(Br)ccc3n2C2CC2)cn1
InChIInChI=1S/C15H16BrN5/c1-20-8-9(7-18-20)14(17)15-19-12-6-10(16)2-5-13(12)21(15)11-3-4-11/h2,5-8,11,14H,3-4,17H2,1H3
InChIKeyULTPWASATIJPMR-UHFFFAOYSA-N
MW346.23 g/mol
LogP2.92
Rot. Bonds3

About (5-bromo-1-cyclopropylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine

(5-bromo-1-cyclopropylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine (PubChem CID 115288605) has the molecular formula C15H16BrN5 and a molecular weight of 346.23 g/mol. Its IUPAC name is (5-bromo-1-cyclopropylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-1-cyclopropylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine
PubChem CID115288605
Molecular FormulaC15H16BrN5
Molecular Weight346.23 g/mol
Exact Mass345.06
IUPAC Name(5-bromo-1-cyclopropylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine
SMILESCn1cc(C(N)c2nc3cc(Br)ccc3n2C2CC2)cn1
InChIInChI=1S/C15H16BrN5/c1-20-8-9(7-18-20)14(17)15-19-12-6-10(16)2-5-13(12)21(15)11-3-4-11/h2,5-8,11,14H,3-4,17H2,1H3
InChIKeyULTPWASATIJPMR-UHFFFAOYSA-N
XLogP2.92
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-cyclopropyl-5-methylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine
CID 115288590
(6-chloro-1-cyclopropylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine
CID 115473271
1-amino-1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)propan-2-ol
CID 54920296
2-amino-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)ethanol
CID 60783807
1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 54920295
5-bromo-2-[chloro(phenyl)methyl]-1-cyclopropylbenzimidazole
CID 60783340
(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-(1-methylpyrazol-4-yl)methanamine
CID 115289444
5-bromo-2-chloro-1-cyclopropylbenzimidazole
CID 83680821
1-[4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine
CID 66380198
5-bromo-2-(chloromethyl)-1-cyclopropylbenzimidazole
CID 43660199
2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-1-amine
CID 115427812
5-bromo-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)aniline
CID 63494896

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1-cyclopropylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine?
The IUPAC name of (5-bromo-1-cyclopropylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine (CID 115288605) is (5-bromo-1-cyclopropylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for (5-bromo-1-cyclopropylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for (5-bromo-1-cyclopropylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine is Cn1cc(C(N)c2nc3cc(Br)ccc3n2C2CC2)cn1.
What is the InChIKey of (5-bromo-1-cyclopropylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine?
The InChIKey is ULTPWASATIJPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN5/c1-20-8-9(7-18-20)14(17)15-19-12-6-10(16)2-5-13(12)21(15)11-3-4-11/h2,5-8,11,14H,3-4,17H2,1H3.
What are the key properties of (5-bromo-1-cyclopropylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine?
(5-bromo-1-cyclopropylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine has a molecular weight of 346.23 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1-cyclopropylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 115288605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).