N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-methylsulfanylcyclopentan-1-amine

C16H23N3S — CID 103911011

IUPACN-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-methylsulfanylcyclopentan-1-amine
SMILESCSC1CCC(NC(C)c2nc3ccccc3n2C)C1
InChIInChI=1S/C16H23N3S/c1-11(17-12-8-9-13(10-12)20-3)16-18-14-6-4-5-7-15(14)19(16)2/h4-7,11-13,17H,8-10H2,1-3H3
InChIKeyAGMJMEWFCHFHNS-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.51
Rot. Bonds4

About N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-methylsulfanylcyclopentan-1-amine

N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-methylsulfanylcyclopentan-1-amine (PubChem CID 103911011) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-methylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-methylsulfanylcyclopentan-1-amine
PubChem CID103911011
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-methylsulfanylcyclopentan-1-amine
SMILESCSC1CCC(NC(C)c2nc3ccccc3n2C)C1
InChIInChI=1S/C16H23N3S/c1-11(17-12-8-9-13(10-12)20-3)16-18-14-6-4-5-7-15(14)19(16)2/h4-7,11-13,17H,8-10H2,1-3H3
InChIKeyAGMJMEWFCHFHNS-UHFFFAOYSA-N
XLogP3.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1,1-dioxothian-4-amine
CID 43614991
2,2-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]oxan-4-amine
CID 83035394
(1R)-1-cyclopentyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]ethanamine
CID 81396604
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]cyclopropanesulfonamide
CID 125436765
2,3-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]cyclohexan-1-amine
CID 43196258
N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 43190090
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylpropan-1-amine
CID 113350156
N-[1-(2-methoxyphenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 113262284
N-methoxy-1-(1-methylbenzimidazol-2-yl)ethanamine
CID 82706490
N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43190024
(1S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-phenylethanamine
CID 81351559
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]formamide
CID 7574617

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-methylsulfanylcyclopentan-1-amine?
The IUPAC name of N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-methylsulfanylcyclopentan-1-amine (CID 103911011) is N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-methylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-methylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-methylsulfanylcyclopentan-1-amine is CSC1CCC(NC(C)c2nc3ccccc3n2C)C1.
What is the InChIKey of N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-methylsulfanylcyclopentan-1-amine?
The InChIKey is AGMJMEWFCHFHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-11(17-12-8-9-13(10-12)20-3)16-18-14-6-4-5-7-15(14)19(16)2/h4-7,11-13,17H,8-10H2,1-3H3.
What are the key properties of N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-methylsulfanylcyclopentan-1-amine?
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-methylsulfanylcyclopentan-1-amine has a molecular weight of 289.45 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-methylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 103911011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).