3-(2-ethylbenzimidazol-1-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]propanamide

C21H27N5O2 — CID 110163698

IUPAC3-(2-ethylbenzimidazol-1-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]propanamide
SMILESCCc1nc2ccccc2n1CCC(=O)N[C@@H]1CC[C@@H](n2ccnc2C)[C@@H]1O
InChIInChI=1S/C21H27N5O2/c1-3-19-23-15-6-4-5-7-17(15)26(19)12-10-20(27)24-16-8-9-18(21(16)28)25-13-11-22-14(25)2/h4-7,11,13,16,18,21,28H,3,8-10,12H2,1-2H3,(H,24,27)/t16-,18-,21-/m1/s1
InChIKeyIJBBDHKFDDGJFT-HGHGUNKESA-N
MW381.48 g/mol
LogP2.37
Rot. Bonds6

About 3-(2-ethylbenzimidazol-1-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]propanamide

3-(2-ethylbenzimidazol-1-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]propanamide (PubChem CID 110163698) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-(2-ethylbenzimidazol-1-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]propanamide.

Molecular Properties

Compound Name3-(2-ethylbenzimidazol-1-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]propanamide
PubChem CID110163698
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name3-(2-ethylbenzimidazol-1-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]propanamide
SMILESCCc1nc2ccccc2n1CCC(=O)N[C@@H]1CC[C@@H](n2ccnc2C)[C@@H]1O
InChIInChI=1S/C21H27N5O2/c1-3-19-23-15-6-4-5-7-17(15)26(19)12-10-20(27)24-16-8-9-18(21(16)28)25-13-11-22-14(25)2/h4-7,11,13,16,18,21,28H,3,8-10,12H2,1-2H3,(H,24,27)/t16-,18-,21-/m1/s1
InChIKeyIJBBDHKFDDGJFT-HGHGUNKESA-N
XLogP2.37
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylbenzimidazol-1-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]propanamide?
The IUPAC name of 3-(2-ethylbenzimidazol-1-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]propanamide (CID 110163698) is 3-(2-ethylbenzimidazol-1-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]propanamide.
What is the SMILES notation for 3-(2-ethylbenzimidazol-1-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]propanamide?
The canonical SMILES for 3-(2-ethylbenzimidazol-1-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]propanamide is CCc1nc2ccccc2n1CCC(=O)N[C@@H]1CC[C@@H](n2ccnc2C)[C@@H]1O.
What is the InChIKey of 3-(2-ethylbenzimidazol-1-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]propanamide?
The InChIKey is IJBBDHKFDDGJFT-HGHGUNKESA-N. The full InChI is InChI=1S/C21H27N5O2/c1-3-19-23-15-6-4-5-7-17(15)26(19)12-10-20(27)24-16-8-9-18(21(16)28)25-13-11-22-14(25)2/h4-7,11,13,16,18,21,28H,3,8-10,12H2,1-2H3,(H,24,27)/t16-,18-,21-/m1/s1.
What are the key properties of 3-(2-ethylbenzimidazol-1-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]propanamide?
3-(2-ethylbenzimidazol-1-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]propanamide has a molecular weight of 381.48 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbenzimidazol-1-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]propanamide is sourced from PubChem (CID 110163698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).