N-[(1R,2S)-6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide;dihydrochloride

C30H35Cl2N5O3 — CID 18735040

IUPACN-[(1R,2S)-6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)N[C@H]1CCc2cc(O)ccc2[C@H]1Cc1cccnc1
InChIInChI=1S/C30H33N5O3.2ClH/c36-23-8-9-24-21(17-23)7-10-26(25(24)16-20-4-3-13-31-18-20)32-29(37)19-34-14-11-22(12-15-34)35-28-6-2-1-5-27(28)33-30(35)38;;/h1-6,8-9,13,17-18,22,25-26,36H,7,10-12,14-16,19H2,(H,32,37)(H,33,38);2*1H/t25-,26+;;/m1../s1
InChIKeyIVNRIYTYCMBLKE-JQJBDSOESA-N
MW584.55 g/mol
LogP4.37
Rot. Bonds6

About N-[(1R,2S)-6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide;dihydrochloride

N-[(1R,2S)-6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide;dihydrochloride (PubChem CID 18735040) has the molecular formula C30H35Cl2N5O3 and a molecular weight of 584.55 g/mol. Its IUPAC name is N-[(1R,2S)-6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[(1R,2S)-6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide;dihydrochloride
PubChem CID18735040
Molecular FormulaC30H35Cl2N5O3
Molecular Weight584.55 g/mol
Exact Mass583.21
IUPAC NameN-[(1R,2S)-6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)N[C@H]1CCc2cc(O)ccc2[C@H]1Cc1cccnc1
InChIInChI=1S/C30H33N5O3.2ClH/c36-23-8-9-24-21(17-23)7-10-26(25(24)16-20-4-3-13-31-18-20)32-29(37)19-34-14-11-22(12-15-34)35-28-6-2-1-5-27(28)33-30(35)38;;/h1-6,8-9,13,17-18,22,25-26,36H,7,10-12,14-16,19H2,(H,32,37)(H,33,38);2*1H/t25-,26+;;/m1../s1
InChIKeyIVNRIYTYCMBLKE-JQJBDSOESA-N
XLogP4.37
TPSA103.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.55
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(1R,2S)-6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide;methane;N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 157201367
N-[(1R)-6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 142042734
2-[(1S,2R)-6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 70140355
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40872849
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 40881365
N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]benzamide
CID 58610304
tert-butyl N-[1-[2-[[(1R,2S)-6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]pyrrolidin-3-yl]carbamate
CID 102006474
N-[(3,5-difluorophenyl)methyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 60504483
3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 21262755
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 57054370
3-[1-[2-[(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 18735093
3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 56810285

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide;dihydrochloride?
The IUPAC name of N-[(1R,2S)-6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide;dihydrochloride (CID 18735040) is N-[(1R,2S)-6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-[(1R,2S)-6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide;dihydrochloride?
The canonical SMILES for N-[(1R,2S)-6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide;dihydrochloride is Cl.Cl.O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)N[C@H]1CCc2cc(O)ccc2[C@H]1Cc1cccnc1.
What is the InChIKey of N-[(1R,2S)-6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide;dihydrochloride?
The InChIKey is IVNRIYTYCMBLKE-JQJBDSOESA-N. The full InChI is InChI=1S/C30H33N5O3.2ClH/c36-23-8-9-24-21(17-23)7-10-26(25(24)16-20-4-3-13-31-18-20)32-29(37)19-34-14-11-22(12-15-34)35-28-6-2-1-5-27(28)33-30(35)38;;/h1-6,8-9,13,17-18,22,25-26,36H,7,10-12,14-16,19H2,(H,32,37)(H,33,38);2*1H/t25-,26+;;/m1../s1.
What are the key properties of N-[(1R,2S)-6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide;dihydrochloride?
N-[(1R,2S)-6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide;dihydrochloride has a molecular weight of 584.55 g/mol, XLogP of 4.37, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide;dihydrochloride is sourced from PubChem (CID 18735040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).