1-cyclopentyl-N-(thiophen-2-ylmethyl)imidazol-2-amine

C13H17N3S — CID 106561409

IUPAC1-cyclopentyl-N-(thiophen-2-ylmethyl)imidazol-2-amine
SMILESc1csc(CNc2nccn2C2CCCC2)c1
InChIInChI=1S/C13H17N3S/c1-2-5-11(4-1)16-8-7-14-13(16)15-10-12-6-3-9-17-12/h3,6-9,11H,1-2,4-5,10H2,(H,14,15)
InChIKeyUGNLUOFAWLSOBB-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.67
Rot. Bonds4

About 1-cyclopentyl-N-(thiophen-2-ylmethyl)imidazol-2-amine

1-cyclopentyl-N-(thiophen-2-ylmethyl)imidazol-2-amine (PubChem CID 106561409) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 1-cyclopentyl-N-(thiophen-2-ylmethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-N-(thiophen-2-ylmethyl)imidazol-2-amine
PubChem CID106561409
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name1-cyclopentyl-N-(thiophen-2-ylmethyl)imidazol-2-amine
SMILESc1csc(CNc2nccn2C2CCCC2)c1
InChIInChI=1S/C13H17N3S/c1-2-5-11(4-1)16-8-7-14-13(16)15-10-12-6-3-9-17-12/h3,6-9,11H,1-2,4-5,10H2,(H,14,15)
InChIKeyUGNLUOFAWLSOBB-UHFFFAOYSA-N
XLogP3.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-N-[(2-ethylphenyl)methyl]imidazol-2-amine
CID 106574558
N-[(4-bromothiophen-2-yl)methyl]-1-cyclopropylimidazol-2-amine
CID 106575655
N-benzyl-1-cyclopropylimidazol-2-amine
CID 106555906
1-cyclohexyl-N-[(6-methyl-2-pyridinyl)methyl]imidazol-2-amine
CID 106569352
1-cyclohexyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-2-amine
CID 106566290
1-cyclopentyl-N-(1-thiophen-2-ylbutyl)imidazol-2-amine
CID 106565332
1-cyclohexyl-N-[(1-methylpyrazol-3-yl)methyl]imidazol-2-amine
CID 106579096
1-cyclohexyl-N-[(3,4-difluorophenyl)methyl]imidazol-2-amine
CID 106565229
1-cyclopentyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-amine
CID 106567817
1-cyclopentyl-N-(2-cyclopropylethyl)imidazol-2-amine
CID 106575827
1-cyclohexyl-N-(2-thiophen-3-ylethyl)imidazol-2-amine
CID 106567551
1-cyclopentyl-N-(thian-2-ylmethyl)imidazol-2-amine
CID 106577148

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(thiophen-2-ylmethyl)imidazol-2-amine?
The IUPAC name of 1-cyclopentyl-N-(thiophen-2-ylmethyl)imidazol-2-amine (CID 106561409) is 1-cyclopentyl-N-(thiophen-2-ylmethyl)imidazol-2-amine.
What is the SMILES notation for 1-cyclopentyl-N-(thiophen-2-ylmethyl)imidazol-2-amine?
The canonical SMILES for 1-cyclopentyl-N-(thiophen-2-ylmethyl)imidazol-2-amine is c1csc(CNc2nccn2C2CCCC2)c1.
What is the InChIKey of 1-cyclopentyl-N-(thiophen-2-ylmethyl)imidazol-2-amine?
The InChIKey is UGNLUOFAWLSOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-2-5-11(4-1)16-8-7-14-13(16)15-10-12-6-3-9-17-12/h3,6-9,11H,1-2,4-5,10H2,(H,14,15).
What are the key properties of 1-cyclopentyl-N-(thiophen-2-ylmethyl)imidazol-2-amine?
1-cyclopentyl-N-(thiophen-2-ylmethyl)imidazol-2-amine has a molecular weight of 247.37 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(thiophen-2-ylmethyl)imidazol-2-amine is sourced from PubChem (CID 106561409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).