1-(1-benzylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine;dihydrochloride

C18H23Cl2N3S — CID 71755974

IUPAC1-(1-benzylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine;dihydrochloride
SMILESCSCCC(N)c1nc2ccccc2n1Cc1ccccc1.Cl.Cl
InChIInChI=1S/C18H21N3S.2ClH/c1-22-12-11-15(19)18-20-16-9-5-6-10-17(16)21(18)13-14-7-3-2-4-8-14;;/h2-10,15H,11-13,19H2,1H3;2*1H
InChIKeyIHYXIAOVRQQCMB-UHFFFAOYSA-N
MW384.38 g/mol
LogP4.68
Rot. Bonds6

About 1-(1-benzylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine;dihydrochloride

1-(1-benzylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine;dihydrochloride (PubChem CID 71755974) has the molecular formula C18H23Cl2N3S and a molecular weight of 384.38 g/mol. Its IUPAC name is 1-(1-benzylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine;dihydrochloride.

Molecular Properties

Compound Name1-(1-benzylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine;dihydrochloride
PubChem CID71755974
Molecular FormulaC18H23Cl2N3S
Molecular Weight384.38 g/mol
Exact Mass383.10
IUPAC Name1-(1-benzylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine;dihydrochloride
SMILESCSCCC(N)c1nc2ccccc2n1Cc1ccccc1.Cl.Cl
InChIInChI=1S/C18H21N3S.2ClH/c1-22-12-11-15(19)18-20-16-9-5-6-10-17(16)21(18)13-14-7-3-2-4-8-14;;/h2-10,15H,11-13,19H2,1H3;2*1H
InChIKeyIHYXIAOVRQQCMB-UHFFFAOYSA-N
XLogP4.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methylsulfanyl-1-(1-phenylbenzimidazol-2-yl)propan-1-amine
CID 43470493
1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole
CID 141183373
1-(1-benzyltetrazol-5-yl)-3-methylsulfanylpropan-1-amine
CID 70052916
(1S)-1-(1-benzylbenzimidazol-2-yl)ethanol
CID 764782
N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-3-methylsulfanylpropyl]furan-2-carboxamide
CID 7007538
1-benzyl-2-ethylsulfanylbenzimidazole
CID 700789
1-(1-propylbenzimidazol-2-yl)pentan-1-amine
CID 43470293
(1S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine
CID 54757557
(1S)-1-[2-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]-3-methylsulfanylpropan-1-amine
CID 131937735
3-amino-3-(1-propylbenzimidazol-2-yl)propan-1-ol
CID 61228731
1-benzyl-2-[(1R)-1-phenylethyl]sulfanylbenzimidazole
CID 39115837
1-benzyl-2-chlorobenzimidazole
CID 3821987

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine;dihydrochloride?
The IUPAC name of 1-(1-benzylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine;dihydrochloride (CID 71755974) is 1-(1-benzylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine;dihydrochloride.
What is the SMILES notation for 1-(1-benzylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine;dihydrochloride?
The canonical SMILES for 1-(1-benzylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine;dihydrochloride is CSCCC(N)c1nc2ccccc2n1Cc1ccccc1.Cl.Cl.
What is the InChIKey of 1-(1-benzylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine;dihydrochloride?
The InChIKey is IHYXIAOVRQQCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3S.2ClH/c1-22-12-11-15(19)18-20-16-9-5-6-10-17(16)21(18)13-14-7-3-2-4-8-14;;/h2-10,15H,11-13,19H2,1H3;2*1H.
What are the key properties of 1-(1-benzylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine;dihydrochloride?
1-(1-benzylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine;dihydrochloride has a molecular weight of 384.38 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine;dihydrochloride is sourced from PubChem (CID 71755974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).