2-[(2-chloro-6-methylpyrimidin-4-yl)methyl]-1-propylbenzimidazole

C16H17ClN4 — CID 79754826

IUPAC2-[(2-chloro-6-methylpyrimidin-4-yl)methyl]-1-propylbenzimidazole
SMILESCCCn1c(Cc2cc(C)nc(Cl)n2)nc2ccccc21
InChIInChI=1S/C16H17ClN4/c1-3-8-21-14-7-5-4-6-13(14)20-15(21)10-12-9-11(2)18-16(17)19-12/h4-7,9H,3,8,10H2,1-2H3
InChIKeyDHJOLAFZZFVSLH-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.79
Rot. Bonds4

About 2-[(2-chloro-6-methylpyrimidin-4-yl)methyl]-1-propylbenzimidazole

2-[(2-chloro-6-methylpyrimidin-4-yl)methyl]-1-propylbenzimidazole (PubChem CID 79754826) has the molecular formula C16H17ClN4 and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-[(2-chloro-6-methylpyrimidin-4-yl)methyl]-1-propylbenzimidazole.

Molecular Properties

Compound Name2-[(2-chloro-6-methylpyrimidin-4-yl)methyl]-1-propylbenzimidazole
PubChem CID79754826
Molecular FormulaC16H17ClN4
Molecular Weight300.79 g/mol
Exact Mass300.11
IUPAC Name2-[(2-chloro-6-methylpyrimidin-4-yl)methyl]-1-propylbenzimidazole
SMILESCCCn1c(Cc2cc(C)nc(Cl)n2)nc2ccccc21
InChIInChI=1S/C16H17ClN4/c1-3-8-21-14-7-5-4-6-13(14)20-15(21)10-12-9-11(2)18-16(17)19-12/h4-7,9H,3,8,10H2,1-2H3
InChIKeyDHJOLAFZZFVSLH-UHFFFAOYSA-N
XLogP3.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.79
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-[(4-fluoro-2-pyridinyl)methyl]-1-propylbenzimidazole
CID 102824508
N-methyl-6-[(1-propylbenzimidazol-2-yl)methyl]pyridin-2-amine
CID 79755294
N-methyl-2-[(1-propylbenzimidazol-2-yl)methyl]pyridin-4-amine
CID 102824874
1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole
CID 11302951
N-methyl-6-[(1-propylbenzimidazol-2-yl)methyl]pyridazin-3-amine
CID 79755479
[5-[(1-propylbenzimidazol-2-yl)methyl]thiophen-2-yl]methanamine
CID 79753969
N-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]aniline
CID 106505787
2-(2-phenylethyl)-1-propylbenzimidazole
CID 969694
trifluoro-[(1-propylbenzimidazol-2-yl)methyl]boranuide
CID 79753961
2-(2-chlorophenyl)-1-propylbenzimidazole
CID 4637054
N-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
CID 79750802

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-methylpyrimidin-4-yl)methyl]-1-propylbenzimidazole?
The IUPAC name of 2-[(2-chloro-6-methylpyrimidin-4-yl)methyl]-1-propylbenzimidazole (CID 79754826) is 2-[(2-chloro-6-methylpyrimidin-4-yl)methyl]-1-propylbenzimidazole.
What is the SMILES notation for 2-[(2-chloro-6-methylpyrimidin-4-yl)methyl]-1-propylbenzimidazole?
The canonical SMILES for 2-[(2-chloro-6-methylpyrimidin-4-yl)methyl]-1-propylbenzimidazole is CCCn1c(Cc2cc(C)nc(Cl)n2)nc2ccccc21.
What is the InChIKey of 2-[(2-chloro-6-methylpyrimidin-4-yl)methyl]-1-propylbenzimidazole?
The InChIKey is DHJOLAFZZFVSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4/c1-3-8-21-14-7-5-4-6-13(14)20-15(21)10-12-9-11(2)18-16(17)19-12/h4-7,9H,3,8,10H2,1-2H3.
What are the key properties of 2-[(2-chloro-6-methylpyrimidin-4-yl)methyl]-1-propylbenzimidazole?
2-[(2-chloro-6-methylpyrimidin-4-yl)methyl]-1-propylbenzimidazole has a molecular weight of 300.79 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-methylpyrimidin-4-yl)methyl]-1-propylbenzimidazole is sourced from PubChem (CID 79754826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).