cis-(1S,3R)-3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine

C15H20ClN3 — CID 106322507

IUPACcis-(1S,3R)-3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine
SMILESCC(C)n1c([C@@H]2CC[C@H](N)C2)nc2cc(Cl)ccc21
InChIInChI=1S/C15H20ClN3/c1-9(2)19-14-6-4-11(16)8-13(14)18-15(19)10-3-5-12(17)7-10/h4,6,8-10,12H,3,5,7,17H2,1-2H3/t10-,12+/m1/s1
InChIKeyKFYQKSLQIIRDOQ-PWSUYJOCSA-N
MW277.80 g/mol
LogP3.87
Rot. Bonds2

About cis-(1S,3R)-3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine

cis-(1S,3R)-3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine (PubChem CID 106322507) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is cis-(1S,3R)-3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine
PubChem CID106322507
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Namecis-(1S,3R)-3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine
SMILESCC(C)n1c([C@@H]2CC[C@H](N)C2)nc2cc(Cl)ccc21
InChIInChI=1S/C15H20ClN3/c1-9(2)19-14-6-4-11(16)8-13(14)18-15(19)10-3-5-12(17)7-10/h4,6,8-10,12H,3,5,7,17H2,1-2H3/t10-,12+/m1/s1
InChIKeyKFYQKSLQIIRDOQ-PWSUYJOCSA-N
XLogP3.87
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine
CID 66032382
2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine
CID 64814752
3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)cyclohexan-1-amine
CID 63044205
3-(6-chloro-1-cyclopropylbenzimidazol-2-yl)cyclopentan-1-amine
CID 115473273
4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)cyclohexan-1-amine
CID 60808589
3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine
CID 63044382
[4-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 79525751
2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-2-amine
CID 61266514
2-cyclohexyl-1-propan-2-ylbenzimidazol-5-amine
CID 82380445
2-cyclopropyl-1-propan-2-ylbenzimidazole-5-carboxylic acid
CID 43322840
4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-methyloxolan-3-amine
CID 66235372
3-(5-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine
CID 66030593

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine (CID 106322507) is cis-(1S,3R)-3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine is CC(C)n1c([C@@H]2CC[C@H](N)C2)nc2cc(Cl)ccc21.
What is the InChIKey of cis-(1S,3R)-3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine?
The InChIKey is KFYQKSLQIIRDOQ-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-9(2)19-14-6-4-11(16)8-13(14)18-15(19)10-3-5-12(17)7-10/h4,6,8-10,12H,3,5,7,17H2,1-2H3/t10-,12+/m1/s1.
What are the key properties of cis-(1S,3R)-3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine?
cis-(1S,3R)-3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine has a molecular weight of 277.80 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 106322507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).