N-[[(2R,3S,4R)-4-[bis(1H-imidazol-5-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide

C19H28N6O3 — CID 75536487

IUPACN-[[(2R,3S,4R)-4-[bis(1H-imidazol-5-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide
SMILESO=C(NC[C@H]1OC[C@@H](N(Cc2cnc[nH]2)Cc2cnc[nH]2)[C@@H]1O)C1CCCC1
InChIInChI=1S/C19H28N6O3/c26-18-16(10-28-17(18)7-22-19(27)13-3-1-2-4-13)25(8-14-5-20-11-23-14)9-15-6-21-12-24-15/h5-6,11-13,16-18,26H,1-4,7-10H2,(H,20,23)(H,21,24)(H,22,27)/t16-,17-,18+/m1/s1
InChIKeyFNYOHWJQUHMKRM-KURKYZTESA-N
MW388.47 g/mol
LogP0.57
Rot. Bonds8

About N-[[(2R,3S,4R)-4-[bis(1H-imidazol-5-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide

N-[[(2R,3S,4R)-4-[bis(1H-imidazol-5-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide (PubChem CID 75536487) has the molecular formula C19H28N6O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-[bis(1H-imidazol-5-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-[bis(1H-imidazol-5-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide
PubChem CID75536487
Molecular FormulaC19H28N6O3
Molecular Weight388.47 g/mol
Exact Mass388.22
IUPAC NameN-[[(2R,3S,4R)-4-[bis(1H-imidazol-5-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide
SMILESO=C(NC[C@H]1OC[C@@H](N(Cc2cnc[nH]2)Cc2cnc[nH]2)[C@@H]1O)C1CCCC1
InChIInChI=1S/C19H28N6O3/c26-18-16(10-28-17(18)7-22-19(27)13-3-1-2-4-13)25(8-14-5-20-11-23-14)9-15-6-21-12-24-15/h5-6,11-13,16-18,26H,1-4,7-10H2,(H,20,23)(H,21,24)(H,22,27)/t16-,17-,18+/m1/s1
InChIKeyFNYOHWJQUHMKRM-KURKYZTESA-N
XLogP0.57
TPSA119.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 50.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 75536547
N-[[4-[bis(1H-imidazol-5-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
CID 162789967
4-amino-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 65232143
N-[[(2R,3S,4R)-3-hydroxy-4-[(2-hydroxyphenyl)methylamino]oxolan-2-yl]methyl]cyclopentanecarboxamide
CID 75536563
(2R)-2-(cycloheptanecarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 104894167
N-cyclopentyl-2-(1H-imidazol-5-yl)acetamide
CID 110684053
(2R)-N-(1H-imidazol-5-ylmethyl)oxolane-2-carboxamide
CID 103850292
N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide
CID 65232091
N-[[3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 162789996
N-[2-(1H-imidazol-5-yl)ethyl]-5-methyloxolane-3-carboxamide
CID 114826330
N-[[(2S)-oxiran-2-yl]methyl]cyclohexanecarboxamide
CID 97180814
N-[[(2R,3S,4R)-4-[bis(pyridin-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75536471

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-[bis(1H-imidazol-5-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-[[(2R,3S,4R)-4-[bis(1H-imidazol-5-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide (CID 75536487) is N-[[(2R,3S,4R)-4-[bis(1H-imidazol-5-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-[bis(1H-imidazol-5-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-[bis(1H-imidazol-5-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide is O=C(NC[C@H]1OC[C@@H](N(Cc2cnc[nH]2)Cc2cnc[nH]2)[C@@H]1O)C1CCCC1.
What is the InChIKey of N-[[(2R,3S,4R)-4-[bis(1H-imidazol-5-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide?
The InChIKey is FNYOHWJQUHMKRM-KURKYZTESA-N. The full InChI is InChI=1S/C19H28N6O3/c26-18-16(10-28-17(18)7-22-19(27)13-3-1-2-4-13)25(8-14-5-20-11-23-14)9-15-6-21-12-24-15/h5-6,11-13,16-18,26H,1-4,7-10H2,(H,20,23)(H,21,24)(H,22,27)/t16-,17-,18+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-[bis(1H-imidazol-5-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide?
N-[[(2R,3S,4R)-4-[bis(1H-imidazol-5-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide has a molecular weight of 388.47 g/mol, XLogP of 0.57, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-4-[bis(1H-imidazol-5-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 75536487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).