2-[(4-bromopyrimidin-5-yl)methyl]-1-propylbenzimidazole

C15H15BrN4 — CID 105371351

IUPAC2-[(4-bromopyrimidin-5-yl)methyl]-1-propylbenzimidazole
SMILESCCCn1c(Cc2cncnc2Br)nc2ccccc21
InChIInChI=1S/C15H15BrN4/c1-2-7-20-13-6-4-3-5-12(13)19-14(20)8-11-9-17-10-18-15(11)16/h3-6,9-10H,2,7-8H2,1H3
InChIKeyFIYRELRBNQXAJU-UHFFFAOYSA-N
MW331.22 g/mol
LogP3.59
Rot. Bonds4

About 2-[(4-bromopyrimidin-5-yl)methyl]-1-propylbenzimidazole

2-[(4-bromopyrimidin-5-yl)methyl]-1-propylbenzimidazole (PubChem CID 105371351) has the molecular formula C15H15BrN4 and a molecular weight of 331.22 g/mol. Its IUPAC name is 2-[(4-bromopyrimidin-5-yl)methyl]-1-propylbenzimidazole.

Molecular Properties

Compound Name2-[(4-bromopyrimidin-5-yl)methyl]-1-propylbenzimidazole
PubChem CID105371351
Molecular FormulaC15H15BrN4
Molecular Weight331.22 g/mol
Exact Mass330.05
IUPAC Name2-[(4-bromopyrimidin-5-yl)methyl]-1-propylbenzimidazole
SMILESCCCn1c(Cc2cncnc2Br)nc2ccccc21
InChIInChI=1S/C15H15BrN4/c1-2-7-20-13-6-4-3-5-12(13)19-14(20)8-11-9-17-10-18-15(11)16/h3-6,9-10H,2,7-8H2,1H3
InChIKeyFIYRELRBNQXAJU-UHFFFAOYSA-N
XLogP3.59
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-5-ylethanone
CID 102923180
1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole
CID 11302951
N-methyl-6-[(1-propylbenzimidazol-2-yl)methyl]pyridazin-3-amine
CID 79755479
2-[(4-fluoro-2-pyridinyl)methyl]-1-propylbenzimidazole
CID 102824508
N-methyl-6-[(1-propylbenzimidazol-2-yl)methyl]pyridin-2-amine
CID 79755294
4-amino-1-(1-propylbenzimidazol-2-yl)butan-2-one
CID 116550850
N-methyl-2-[(1-propylbenzimidazol-2-yl)methyl]pyridin-4-amine
CID 102824874
N,3,3-trimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-amine
CID 105007167
2-(2-phenylethyl)-1-propylbenzimidazole
CID 969694
trifluoro-[(1-propylbenzimidazol-2-yl)methyl]boranuide
CID 79753961
2-[(2-chloro-6-methylpyrimidin-4-yl)methyl]-1-propylbenzimidazole
CID 79754826

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromopyrimidin-5-yl)methyl]-1-propylbenzimidazole?
The IUPAC name of 2-[(4-bromopyrimidin-5-yl)methyl]-1-propylbenzimidazole (CID 105371351) is 2-[(4-bromopyrimidin-5-yl)methyl]-1-propylbenzimidazole.
What is the SMILES notation for 2-[(4-bromopyrimidin-5-yl)methyl]-1-propylbenzimidazole?
The canonical SMILES for 2-[(4-bromopyrimidin-5-yl)methyl]-1-propylbenzimidazole is CCCn1c(Cc2cncnc2Br)nc2ccccc21.
What is the InChIKey of 2-[(4-bromopyrimidin-5-yl)methyl]-1-propylbenzimidazole?
The InChIKey is FIYRELRBNQXAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4/c1-2-7-20-13-6-4-3-5-12(13)19-14(20)8-11-9-17-10-18-15(11)16/h3-6,9-10H,2,7-8H2,1H3.
What are the key properties of 2-[(4-bromopyrimidin-5-yl)methyl]-1-propylbenzimidazole?
2-[(4-bromopyrimidin-5-yl)methyl]-1-propylbenzimidazole has a molecular weight of 331.22 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromopyrimidin-5-yl)methyl]-1-propylbenzimidazole is sourced from PubChem (CID 105371351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).