3-(3-bromophenyl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide

C18H22BrN3O2 — CID 146153989

IUPAC3-(3-bromophenyl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide
SMILESO=C(CCc1cccc(Br)c1)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O
InChIInChI=1S/C18H22BrN3O2/c19-15-3-1-2-13(8-15)4-5-18(24)21-16-9-14(10-17(16)23)11-22-7-6-20-12-22/h1-3,6-8,12,14,16-17,23H,4-5,9-11H2,(H,21,24)/t14?,16-,17-/m1/s1
InChIKeyUFSQNHKQGIOEGS-VNCLPFQGSA-N
MW392.30 g/mol
LogP2.53
Rot. Bonds6

About 3-(3-bromophenyl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide

3-(3-bromophenyl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide (PubChem CID 146153989) has the molecular formula C18H22BrN3O2 and a molecular weight of 392.30 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide
PubChem CID146153989
Molecular FormulaC18H22BrN3O2
Molecular Weight392.30 g/mol
Exact Mass391.09
IUPAC Name3-(3-bromophenyl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide
SMILESO=C(CCc1cccc(Br)c1)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O
InChIInChI=1S/C18H22BrN3O2/c19-15-3-1-2-13(8-15)4-5-18(24)21-16-9-14(10-17(16)23)11-22-7-6-20-12-22/h1-3,6-8,12,14,16-17,23H,4-5,9-11H2,(H,21,24)/t14?,16-,17-/m1/s1
InChIKeyUFSQNHKQGIOEGS-VNCLPFQGSA-N
XLogP2.53
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,6-dimethyl-4-pyridinyl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide
CID 146110487
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(4-imidazol-1-ylphenyl)acetamide
CID 146110372
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-quinolin-2-ylpropanamide
CID 154800108
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide
CID 146110234
3-(4-chloropyrazol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide
CID 146110184
3-benzyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]triazole-4-carboxamide
CID 146110319
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,8-naphthyridine-2-carboxamide
CID 146110346
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-(1,2,4-triazol-1-yl)benzamide
CID 146110219
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-5-phenyl-1H-pyrrole-3-carboxamide
CID 146110527
3,5-difluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide
CID 146110385
trans-(1R,2R)-2-[(3-bromo-2-pyridinyl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 154803148
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(4-methyl-3-oxopiperazin-1-yl)acetamide
CID 167800069

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide?
The IUPAC name of 3-(3-bromophenyl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide (CID 146153989) is 3-(3-bromophenyl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide.
What is the SMILES notation for 3-(3-bromophenyl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide?
The canonical SMILES for 3-(3-bromophenyl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide is O=C(CCc1cccc(Br)c1)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O.
What is the InChIKey of 3-(3-bromophenyl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide?
The InChIKey is UFSQNHKQGIOEGS-VNCLPFQGSA-N. The full InChI is InChI=1S/C18H22BrN3O2/c19-15-3-1-2-13(8-15)4-5-18(24)21-16-9-14(10-17(16)23)11-22-7-6-20-12-22/h1-3,6-8,12,14,16-17,23H,4-5,9-11H2,(H,21,24)/t14?,16-,17-/m1/s1.
What are the key properties of 3-(3-bromophenyl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide?
3-(3-bromophenyl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide has a molecular weight of 392.30 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide is sourced from PubChem (CID 146153989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).