cis-(1S,3R)-3-amino-N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)cyclopentane-1-carboxamide

C18H26N4O2 — CID 56884137

IUPACcis-(1S,3R)-3-amino-N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)cyclopentane-1-carboxamide
SMILESCCn1c(=O)n(CC)c2cc(NC(=O)[C@H]3CC[C@@H](N)C3)c(C)cc21
InChIInChI=1S/C18H26N4O2/c1-4-21-15-8-11(3)14(10-16(15)22(5-2)18(21)24)20-17(23)12-6-7-13(19)9-12/h8,10,12-13H,4-7,9,19H2,1-3H3,(H,20,23)/t12-,13+/m0/s1
InChIKeyGYWRNDFAMYJULS-QWHCGFSZSA-N
MW330.43 g/mol
LogP2.22
Rot. Bonds4

About cis-(1S,3R)-3-amino-N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)cyclopentane-1-carboxamide

cis-(1S,3R)-3-amino-N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)cyclopentane-1-carboxamide (PubChem CID 56884137) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is cis-(1S,3R)-3-amino-N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-3-amino-N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)cyclopentane-1-carboxamide
PubChem CID56884137
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Namecis-(1S,3R)-3-amino-N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)cyclopentane-1-carboxamide
SMILESCCn1c(=O)n(CC)c2cc(NC(=O)[C@H]3CC[C@@H](N)C3)c(C)cc21
InChIInChI=1S/C18H26N4O2/c1-4-21-15-8-11(3)14(10-16(15)22(5-2)18(21)24)20-17(23)12-6-7-13(19)9-12/h8,10,12-13H,4-7,9,19H2,1-3H3,(H,20,23)/t12-,13+/m0/s1
InChIKeyGYWRNDFAMYJULS-QWHCGFSZSA-N
XLogP2.22
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide
CID 66009354
3-amino-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 66030675
3-amino-N-(5-chloro-2-methylphenyl)cyclopentane-1-carboxamide
CID 66032471
3-amino-N-(4-butoxy-2-methylphenyl)cyclopentane-1-carboxamide
CID 119739406
3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopentane-1-carboxamide
CID 119895255
3-amino-N-(2,4,5-trimethylphenyl)cyclobutane-1-carboxamide
CID 115161310
3-amino-N-(2-methyl-5-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 66008738
3-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119692536
3-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 66031082
4-amino-N-(4-ethoxy-2-methylphenyl)cyclohexane-1-carboxamide
CID 60928404
3-amino-N-(2,5-diethoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119686949
4-amino-N-(5-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 54928602

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-amino-N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)cyclopentane-1-carboxamide?
The IUPAC name of cis-(1S,3R)-3-amino-N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)cyclopentane-1-carboxamide (CID 56884137) is cis-(1S,3R)-3-amino-N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1S,3R)-3-amino-N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1S,3R)-3-amino-N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)cyclopentane-1-carboxamide is CCn1c(=O)n(CC)c2cc(NC(=O)[C@H]3CC[C@@H](N)C3)c(C)cc21.
What is the InChIKey of cis-(1S,3R)-3-amino-N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)cyclopentane-1-carboxamide?
The InChIKey is GYWRNDFAMYJULS-QWHCGFSZSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-4-21-15-8-11(3)14(10-16(15)22(5-2)18(21)24)20-17(23)12-6-7-13(19)9-12/h8,10,12-13H,4-7,9,19H2,1-3H3,(H,20,23)/t12-,13+/m0/s1.
What are the key properties of cis-(1S,3R)-3-amino-N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)cyclopentane-1-carboxamide?
cis-(1S,3R)-3-amino-N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)cyclopentane-1-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-amino-N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 56884137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).