trans-(1S,3R)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1,3-dicarboxamide

C22H32N4O2 — CID 72927891

IUPACtrans-(1S,3R)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1,3-dicarboxamide
SMILESCN(C)C(=O)[C@@H]1CC[C@](C)(C(=O)NCCc2nc3ccccc3n2C)C1(C)C
InChIInChI=1S/C22H32N4O2/c1-21(2)15(19(27)25(4)5)11-13-22(21,3)20(28)23-14-12-18-24-16-9-7-8-10-17(16)26(18)6/h7-10,15H,11-14H2,1-6H3,(H,23,28)/t15-,22+/m0/s1
InChIKeyMPBZRAMUEUPPTP-OYHNWAKOSA-N
MW384.52 g/mol
LogP2.76
Rot. Bonds5

About trans-(1S,3R)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1,3-dicarboxamide

trans-(1S,3R)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1,3-dicarboxamide (PubChem CID 72927891) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is trans-(1S,3R)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1,3-dicarboxamide.

Molecular Properties

Compound Nametrans-(1S,3R)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1,3-dicarboxamide
PubChem CID72927891
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Nametrans-(1S,3R)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1,3-dicarboxamide
SMILESCN(C)C(=O)[C@@H]1CC[C@](C)(C(=O)NCCc2nc3ccccc3n2C)C1(C)C
InChIInChI=1S/C22H32N4O2/c1-21(2)15(19(27)25(4)5)11-13-22(21,3)20(28)23-14-12-18-24-16-9-7-8-10-17(16)26(18)6/h7-10,15H,11-14H2,1-6H3,(H,23,28)/t15-,22+/m0/s1
InChIKeyMPBZRAMUEUPPTP-OYHNWAKOSA-N
XLogP2.76
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze trans-(1S,3R)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1,3-dicarboxamide with MolForge

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Related Compounds

(2R)-2-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 124590456
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CID 118790225
2-(cyclopropylmethylsulfanyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 90648634
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide
CID 91918229
4-[2-(dimethylamino)-2-oxoethyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperazine-1-carboxamide
CID 119064849
1-cyclopentyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea;formic acid
CID 154903685
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110741853
1-tert-butyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea
CID 110747230
4-methoxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-4-carboxamide
CID 119889945
1-methyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 126428709
N-[3-(1-methylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 16981769
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]benzamide
CID 95707440

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3R)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1,3-dicarboxamide?
The IUPAC name of trans-(1S,3R)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1,3-dicarboxamide (CID 72927891) is trans-(1S,3R)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1,3-dicarboxamide.
What is the SMILES notation for trans-(1S,3R)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1,3-dicarboxamide?
The canonical SMILES for trans-(1S,3R)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1,3-dicarboxamide is CN(C)C(=O)[C@@H]1CC[C@](C)(C(=O)NCCc2nc3ccccc3n2C)C1(C)C.
What is the InChIKey of trans-(1S,3R)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1,3-dicarboxamide?
The InChIKey is MPBZRAMUEUPPTP-OYHNWAKOSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-21(2)15(19(27)25(4)5)11-13-22(21,3)20(28)23-14-12-18-24-16-9-7-8-10-17(16)26(18)6/h7-10,15H,11-14H2,1-6H3,(H,23,28)/t15-,22+/m0/s1.
What are the key properties of trans-(1S,3R)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1,3-dicarboxamide?
trans-(1S,3R)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1,3-dicarboxamide has a molecular weight of 384.52 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3R)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1,3-dicarboxamide is sourced from PubChem (CID 72927891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).