N-ethyl-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methylcyclopentan-1-amine

C16H23N3OS — CID 64904939

IUPACN-ethyl-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methylcyclopentan-1-amine
SMILESCCNC1CCC(Sc2nc3ccc(OC)cc3[nH]2)C1C
InChIInChI=1S/C16H23N3OS/c1-4-17-12-7-8-15(10(12)2)21-16-18-13-6-5-11(20-3)9-14(13)19-16/h5-6,9-10,12,15,17H,4,7-8H2,1-3H3,(H,18,19)
InChIKeyXXXDJELVBITNAY-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.44
Rot. Bonds5

About N-ethyl-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methylcyclopentan-1-amine

N-ethyl-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methylcyclopentan-1-amine (PubChem CID 64904939) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-ethyl-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methylcyclopentan-1-amine
PubChem CID64904939
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-ethyl-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methylcyclopentan-1-amine
SMILESCCNC1CCC(Sc2nc3ccc(OC)cc3[nH]2)C1C
InChIInChI=1S/C16H23N3OS/c1-4-17-12-7-8-15(10(12)2)21-16-18-13-6-5-11(20-3)9-14(13)19-16/h5-6,9-10,12,15,17H,4,7-8H2,1-3H3,(H,18,19)
InChIKeyXXXDJELVBITNAY-UHFFFAOYSA-N
XLogP3.44
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-2-pyrrolidin-3-ylsulfanyl-1H-benzimidazole
CID 62328459
4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]cyclohexan-1-amine
CID 55114980
N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]cyclopropanamine
CID 61386508
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]cyclobutane-1-carboxylic acid
CID 80996895
6-methoxy-2-propylsulfanyl-1H-benzimidazole
CID 2650025
N-(cyclopropylmethyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanamine
CID 62583195
3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-methylpropan-1-amine
CID 61386487
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 51402050
N-(2,3-dimethylcyclohexyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 4215024
2-(1H-benzimidazol-2-ylsulfanyl)-N,4-diethylcyclohexan-1-amine
CID 64621304
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone
CID 2650081
6-methoxy-2-(oxiran-2-ylmethylsulfanyl)-1H-benzimidazole
CID 43187883

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methylcyclopentan-1-amine?
The IUPAC name of N-ethyl-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methylcyclopentan-1-amine (CID 64904939) is N-ethyl-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-ethyl-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methylcyclopentan-1-amine?
The canonical SMILES for N-ethyl-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methylcyclopentan-1-amine is CCNC1CCC(Sc2nc3ccc(OC)cc3[nH]2)C1C.
What is the InChIKey of N-ethyl-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methylcyclopentan-1-amine?
The InChIKey is XXXDJELVBITNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-4-17-12-7-8-15(10(12)2)21-16-18-13-6-5-11(20-3)9-14(13)19-16/h5-6,9-10,12,15,17H,4,7-8H2,1-3H3,(H,18,19).
What are the key properties of N-ethyl-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methylcyclopentan-1-amine?
N-ethyl-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methylcyclopentan-1-amine has a molecular weight of 305.45 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 64904939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).