4-[[(1-propylbenzimidazol-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one

C15H18N4OS — CID 106380195

IUPAC4-[[(1-propylbenzimidazol-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCCCn1c(CNCc2csc(=O)[nH]2)nc2ccccc21
InChIInChI=1S/C15H18N4OS/c1-2-7-19-13-6-4-3-5-12(13)18-14(19)9-16-8-11-10-21-15(20)17-11/h3-6,10,16H,2,7-9H2,1H3,(H,17,20)
InChIKeyGWVAAZJKKYVMRJ-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.49
Rot. Bonds6

About 4-[[(1-propylbenzimidazol-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one

4-[[(1-propylbenzimidazol-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380195) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-[[(1-propylbenzimidazol-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(1-propylbenzimidazol-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380195
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name4-[[(1-propylbenzimidazol-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCCCn1c(CNCc2csc(=O)[nH]2)nc2ccccc21
InChIInChI=1S/C15H18N4OS/c1-2-7-19-13-6-4-3-5-12(13)18-14(19)9-16-8-11-10-21-15(20)17-11/h3-6,10,16H,2,7-9H2,1H3,(H,17,20)
InChIKeyGWVAAZJKKYVMRJ-UHFFFAOYSA-N
XLogP2.49
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol
CID 54905664
N-[(1-propylbenzimidazol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)methanamine
CID 61019366
3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]butan-1-amine
CID 54906185
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine
CID 61019367
1-(1-propylbenzimidazol-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 119137523
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
N-[(1-methylcyclobutyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine
CID 103735922
N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine
CID 107267629
1-(6-methoxy-3-pyridinyl)-N-[(1-propylbenzimidazol-2-yl)methyl]methanamine
CID 119137495
2,2,3,3-tetramethyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopropan-1-amine
CID 79352406
1-cyclopropyl-2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol
CID 63299001
1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole
CID 11302951

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-propylbenzimidazol-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(1-propylbenzimidazol-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one (CID 106380195) is 4-[[(1-propylbenzimidazol-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(1-propylbenzimidazol-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(1-propylbenzimidazol-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one is CCCn1c(CNCc2csc(=O)[nH]2)nc2ccccc21.
What is the InChIKey of 4-[[(1-propylbenzimidazol-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is GWVAAZJKKYVMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-2-7-19-13-6-4-3-5-12(13)18-14(19)9-16-8-11-10-21-15(20)17-11/h3-6,10,16H,2,7-9H2,1H3,(H,17,20).
What are the key properties of 4-[[(1-propylbenzimidazol-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[(1-propylbenzimidazol-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 302.40 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-propylbenzimidazol-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).