N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine

C16H23N3S — CID 107267629

IUPACN-[(1-methylsulfanylcyclopropyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine
SMILESCCCn1c(CNCC2(SC)CC2)nc2ccccc21
InChIInChI=1S/C16H23N3S/c1-3-10-19-14-7-5-4-6-13(14)18-15(19)11-17-12-16(20-2)8-9-16/h4-7,17H,3,8-12H2,1-2H3
InChIKeyXCLSKLLWWPUPOL-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.43
Rot. Bonds7

About N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine

N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine (PubChem CID 107267629) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methylsulfanylcyclopropyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine
PubChem CID107267629
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN-[(1-methylsulfanylcyclopropyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine
SMILESCCCn1c(CNCC2(SC)CC2)nc2ccccc21
InChIInChI=1S/C16H23N3S/c1-3-10-19-14-7-5-4-6-13(14)18-15(19)11-17-12-16(20-2)8-9-16/h4-7,17H,3,8-12H2,1-2H3
InChIKeyXCLSKLLWWPUPOL-UHFFFAOYSA-N
XLogP3.43
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylcyclobutyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine
CID 103735922
2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol
CID 54905664
3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]butan-1-amine
CID 54906185
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
2,2,3,3-tetramethyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopropan-1-amine
CID 79352406
1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 79753348
1-cyclopropyl-2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol
CID 63299001
N-[(1-propylbenzimidazol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)methanamine
CID 61019366
1-(1-propylbenzimidazol-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 119137523
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine
CID 61019367
2-(oxolan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine
CID 61034574
2-methyl-2-morpholin-4-yl-N-[(1-propylbenzimidazol-2-yl)methyl]propan-1-amine
CID 119137471

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine?
The IUPAC name of N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine (CID 107267629) is N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine.
What is the SMILES notation for N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine?
The canonical SMILES for N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine is CCCn1c(CNCC2(SC)CC2)nc2ccccc21.
What is the InChIKey of N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine?
The InChIKey is XCLSKLLWWPUPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-3-10-19-14-7-5-4-6-13(14)18-15(19)11-17-12-16(20-2)8-9-16/h4-7,17H,3,8-12H2,1-2H3.
What are the key properties of N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine?
N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine has a molecular weight of 289.45 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine is sourced from PubChem (CID 107267629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).