1-(cyclopropylmethyl)-2-methyl-6-propylsulfanylbenzimidazole

C15H20N2S — CID 134083751

IUPAC1-(cyclopropylmethyl)-2-methyl-6-propylsulfanylbenzimidazole
SMILESCCCSc1ccc2nc(C)n(CC3CC3)c2c1
InChIInChI=1S/C15H20N2S/c1-3-8-18-13-6-7-14-15(9-13)17(11(2)16-14)10-12-4-5-12/h6-7,9,12H,3-5,8,10H2,1-2H3
InChIKeyKVLDYGRJJHJFNP-UHFFFAOYSA-N
MW260.41 g/mol
LogP4.26
Rot. Bonds5

About 1-(cyclopropylmethyl)-2-methyl-6-propylsulfanylbenzimidazole

1-(cyclopropylmethyl)-2-methyl-6-propylsulfanylbenzimidazole (PubChem CID 134083751) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2-methyl-6-propylsulfanylbenzimidazole.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2-methyl-6-propylsulfanylbenzimidazole
PubChem CID134083751
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name1-(cyclopropylmethyl)-2-methyl-6-propylsulfanylbenzimidazole
SMILESCCCSc1ccc2nc(C)n(CC3CC3)c2c1
InChIInChI=1S/C15H20N2S/c1-3-8-18-13-6-7-14-15(9-13)17(11(2)16-14)10-12-4-5-12/h6-7,9,12H,3-5,8,10H2,1-2H3
InChIKeyKVLDYGRJJHJFNP-UHFFFAOYSA-N
XLogP4.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2-methyl-6-propylsulfanylbenzimidazole?
The IUPAC name of 1-(cyclopropylmethyl)-2-methyl-6-propylsulfanylbenzimidazole (CID 134083751) is 1-(cyclopropylmethyl)-2-methyl-6-propylsulfanylbenzimidazole.
What is the SMILES notation for 1-(cyclopropylmethyl)-2-methyl-6-propylsulfanylbenzimidazole?
The canonical SMILES for 1-(cyclopropylmethyl)-2-methyl-6-propylsulfanylbenzimidazole is CCCSc1ccc2nc(C)n(CC3CC3)c2c1.
What is the InChIKey of 1-(cyclopropylmethyl)-2-methyl-6-propylsulfanylbenzimidazole?
The InChIKey is KVLDYGRJJHJFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-3-8-18-13-6-7-14-15(9-13)17(11(2)16-14)10-12-4-5-12/h6-7,9,12H,3-5,8,10H2,1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-2-methyl-6-propylsulfanylbenzimidazole?
1-(cyclopropylmethyl)-2-methyl-6-propylsulfanylbenzimidazole has a molecular weight of 260.41 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2-methyl-6-propylsulfanylbenzimidazole is sourced from PubChem (CID 134083751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).