cis-(1S,3R)-3-(1-cyclopropyl-5-methoxybenzimidazol-2-yl)cyclopentan-1-amine

C16H21N3O — CID 106322605

IUPACcis-(1S,3R)-3-(1-cyclopropyl-5-methoxybenzimidazol-2-yl)cyclopentan-1-amine
SMILESCOc1ccc2c(c1)nc([C@@H]1CC[C@H](N)C1)n2C1CC1
InChIInChI=1S/C16H21N3O/c1-20-13-6-7-15-14(9-13)18-16(19(15)12-4-5-12)10-2-3-11(17)8-10/h6-7,9-12H,2-5,8,17H2,1H3/t10-,11+/m1/s1
InChIKeyGPFHDFBSIRUFTB-MNOVXSKESA-N
MW271.36 g/mol
LogP2.97
Rot. Bonds3

About cis-(1S,3R)-3-(1-cyclopropyl-5-methoxybenzimidazol-2-yl)cyclopentan-1-amine

cis-(1S,3R)-3-(1-cyclopropyl-5-methoxybenzimidazol-2-yl)cyclopentan-1-amine (PubChem CID 106322605) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is cis-(1S,3R)-3-(1-cyclopropyl-5-methoxybenzimidazol-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-(1-cyclopropyl-5-methoxybenzimidazol-2-yl)cyclopentan-1-amine
PubChem CID106322605
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Namecis-(1S,3R)-3-(1-cyclopropyl-5-methoxybenzimidazol-2-yl)cyclopentan-1-amine
SMILESCOc1ccc2c(c1)nc([C@@H]1CC[C@H](N)C1)n2C1CC1
InChIInChI=1S/C16H21N3O/c1-20-13-6-7-15-14(9-13)18-16(19(15)12-4-5-12)10-2-3-11(17)8-10/h6-7,9-12H,2-5,8,17H2,1H3/t10-,11+/m1/s1
InChIKeyGPFHDFBSIRUFTB-MNOVXSKESA-N
XLogP2.97
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-bromo-1-cyclobutyl-5-methoxybenzimidazole
CID 84812045
methyl 1-cyclopropyl-5-methoxybenzimidazole-2-carboxylate
CID 112617626
3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)cyclohexan-1-amine
CID 63044383
3-(2,4-dimethoxyphenyl)cyclopentan-1-amine
CID 64503651
cis-(1S,3R)-3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine
CID 106322507
2-cyclopropyl-1-hexyl-5-methoxybenzimidazole
CID 134083858
3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid
CID 103551612
2-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methoxybenzimidazole
CID 83420113
cis-(1S,3R)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323187

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-(1-cyclopropyl-5-methoxybenzimidazol-2-yl)cyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-3-(1-cyclopropyl-5-methoxybenzimidazol-2-yl)cyclopentan-1-amine (CID 106322605) is cis-(1S,3R)-3-(1-cyclopropyl-5-methoxybenzimidazol-2-yl)cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-(1-cyclopropyl-5-methoxybenzimidazol-2-yl)cyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-(1-cyclopropyl-5-methoxybenzimidazol-2-yl)cyclopentan-1-amine is COc1ccc2c(c1)nc([C@@H]1CC[C@H](N)C1)n2C1CC1.
What is the InChIKey of cis-(1S,3R)-3-(1-cyclopropyl-5-methoxybenzimidazol-2-yl)cyclopentan-1-amine?
The InChIKey is GPFHDFBSIRUFTB-MNOVXSKESA-N. The full InChI is InChI=1S/C16H21N3O/c1-20-13-6-7-15-14(9-13)18-16(19(15)12-4-5-12)10-2-3-11(17)8-10/h6-7,9-12H,2-5,8,17H2,1H3/t10-,11+/m1/s1.
What are the key properties of cis-(1S,3R)-3-(1-cyclopropyl-5-methoxybenzimidazol-2-yl)cyclopentan-1-amine?
cis-(1S,3R)-3-(1-cyclopropyl-5-methoxybenzimidazol-2-yl)cyclopentan-1-amine has a molecular weight of 271.36 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-(1-cyclopropyl-5-methoxybenzimidazol-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 106322605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).