[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-(4-propan-2-ylcyclohexyl)methanone

C22H35N3O — CID 100743034

IUPAC[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-(4-propan-2-ylcyclohexyl)methanone
SMILESCC(C)C1CCC(C(=O)N2CCC[C@@H]2c2nc3c(n2C)CCCC3)CC1
InChIInChI=1S/C22H35N3O/c1-15(2)16-10-12-17(13-11-16)22(26)25-14-6-9-20(25)21-23-18-7-4-5-8-19(18)24(21)3/h15-17,20H,4-14H2,1-3H3/t16?,17?,20-/m1/s1
InChIKeyQBMAPANQBMIYFV-LBXVMSDZSA-N
MW357.54 g/mol
LogP4.42
Rot. Bonds3

About [(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-(4-propan-2-ylcyclohexyl)methanone

[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-(4-propan-2-ylcyclohexyl)methanone (PubChem CID 100743034) has the molecular formula C22H35N3O and a molecular weight of 357.54 g/mol. Its IUPAC name is [(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-(4-propan-2-ylcyclohexyl)methanone.

Molecular Properties

Compound Name[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-(4-propan-2-ylcyclohexyl)methanone
PubChem CID100743034
Molecular FormulaC22H35N3O
Molecular Weight357.54 g/mol
Exact Mass357.28
IUPAC Name[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-(4-propan-2-ylcyclohexyl)methanone
SMILESCC(C)C1CCC(C(=O)N2CCC[C@@H]2c2nc3c(n2C)CCCC3)CC1
InChIInChI=1S/C22H35N3O/c1-15(2)16-10-12-17(13-11-16)22(26)25-14-6-9-20(25)21-23-18-7-4-5-8-19(18)24(21)3/h15-17,20H,4-14H2,1-3H3/t16?,17?,20-/m1/s1
InChIKeyQBMAPANQBMIYFV-LBXVMSDZSA-N
XLogP4.42
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-(4-propan-2-ylcyclohexyl)methanone?
The IUPAC name of [(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-(4-propan-2-ylcyclohexyl)methanone (CID 100743034) is [(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-(4-propan-2-ylcyclohexyl)methanone.
What is the SMILES notation for [(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-(4-propan-2-ylcyclohexyl)methanone?
The canonical SMILES for [(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-(4-propan-2-ylcyclohexyl)methanone is CC(C)C1CCC(C(=O)N2CCC[C@@H]2c2nc3c(n2C)CCCC3)CC1.
What is the InChIKey of [(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-(4-propan-2-ylcyclohexyl)methanone?
The InChIKey is QBMAPANQBMIYFV-LBXVMSDZSA-N. The full InChI is InChI=1S/C22H35N3O/c1-15(2)16-10-12-17(13-11-16)22(26)25-14-6-9-20(25)21-23-18-7-4-5-8-19(18)24(21)3/h15-17,20H,4-14H2,1-3H3/t16?,17?,20-/m1/s1.
What are the key properties of [(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-(4-propan-2-ylcyclohexyl)methanone?
[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-(4-propan-2-ylcyclohexyl)methanone has a molecular weight of 357.54 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-(4-propan-2-ylcyclohexyl)methanone is sourced from PubChem (CID 100743034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).