N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-hydroxycyclopentane-1-carboxamide

C16H18ClN3O2 — CID 110015849

IUPACN-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-hydroxycyclopentane-1-carboxamide
SMILESO=C(Nc1nccn1Cc1ccccc1Cl)C1CCCC1O
InChIInChI=1S/C16H18ClN3O2/c17-13-6-2-1-4-11(13)10-20-9-8-18-16(20)19-15(22)12-5-3-7-14(12)21/h1-2,4,6,8-9,12,14,21H,3,5,7,10H2,(H,18,19,22)
InChIKeyNDJYAXKNHCHNBG-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.68
Rot. Bonds4

About N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-hydroxycyclopentane-1-carboxamide

N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-hydroxycyclopentane-1-carboxamide (PubChem CID 110015849) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-hydroxycyclopentane-1-carboxamide
PubChem CID110015849
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC NameN-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-hydroxycyclopentane-1-carboxamide
SMILESO=C(Nc1nccn1Cc1ccccc1Cl)C1CCCC1O
InChIInChI=1S/C16H18ClN3O2/c17-13-6-2-1-4-11(13)10-20-9-8-18-16(20)19-15(22)12-5-3-7-14(12)21/h1-2,4,6,8-9,12,14,21H,3,5,7,10H2,(H,18,19,22)
InChIKeyNDJYAXKNHCHNBG-UHFFFAOYSA-N
XLogP2.68
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]acetamide
CID 71931046
N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide
CID 86958161
N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-(1,1-dioxothiolan-3-yl)acetamide
CID 167882561
3-amino-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]butanamide
CID 119789659
N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-(3-hydroxyphenyl)acetamide
CID 56791413
N-(1-benzylimidazol-2-yl)piperidine-3-carboxamide
CID 119297675
2-(2-amino-2-oxoethyl)sulfanyl-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]benzamide
CID 86958124
(2R)-N-(1-benzylimidazol-2-yl)oxolane-2-carboxamide
CID 94211931
N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110016655
(4R)-N-(1-benzylimidazol-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 97313572
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide
CID 17406614
4-amino-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]benzenesulfonamide
CID 3054841

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-hydroxycyclopentane-1-carboxamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-hydroxycyclopentane-1-carboxamide (CID 110015849) is N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-hydroxycyclopentane-1-carboxamide is O=C(Nc1nccn1Cc1ccccc1Cl)C1CCCC1O.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-hydroxycyclopentane-1-carboxamide?
The InChIKey is NDJYAXKNHCHNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c17-13-6-2-1-4-11(13)10-20-9-8-18-16(20)19-15(22)12-5-3-7-14(12)21/h1-2,4,6,8-9,12,14,21H,3,5,7,10H2,(H,18,19,22).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-hydroxycyclopentane-1-carboxamide?
N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-hydroxycyclopentane-1-carboxamide has a molecular weight of 319.79 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 110015849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).