N-[(6-chloro-1H-benzimidazol-2-yl)methyl]oxane-2-carboxamide

C14H16ClN3O2 — CID 118795559

IUPACN-[(6-chloro-1H-benzimidazol-2-yl)methyl]oxane-2-carboxamide
SMILESO=C(NCc1nc2ccc(Cl)cc2[nH]1)C1CCCCO1
InChIInChI=1S/C14H16ClN3O2/c15-9-4-5-10-11(7-9)18-13(17-10)8-16-14(19)12-3-1-2-6-20-12/h4-5,7,12H,1-3,6,8H2,(H,16,19)(H,17,18)
InChIKeyAMNHMLIRIREPSG-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.40
Rot. Bonds3

About N-[(6-chloro-1H-benzimidazol-2-yl)methyl]oxane-2-carboxamide

N-[(6-chloro-1H-benzimidazol-2-yl)methyl]oxane-2-carboxamide (PubChem CID 118795559) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is N-[(6-chloro-1H-benzimidazol-2-yl)methyl]oxane-2-carboxamide.

Molecular Properties

Compound NameN-[(6-chloro-1H-benzimidazol-2-yl)methyl]oxane-2-carboxamide
PubChem CID118795559
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC NameN-[(6-chloro-1H-benzimidazol-2-yl)methyl]oxane-2-carboxamide
SMILESO=C(NCc1nc2ccc(Cl)cc2[nH]1)C1CCCCO1
InChIInChI=1S/C14H16ClN3O2/c15-9-4-5-10-11(7-9)18-13(17-10)8-16-14(19)12-3-1-2-6-20-12/h4-5,7,12H,1-3,6,8H2,(H,16,19)(H,17,18)
InChIKeyAMNHMLIRIREPSG-UHFFFAOYSA-N
XLogP2.40
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[(6-chloro-1H-benzimidazol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 118769244
[4-[(6-chloro-1H-benzimidazol-2-yl)methylcarbamoyl]cyclohexyl]carbamic acid
CID 155256233
3-chloro-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-(2-methylpyrrolidine-1-carbonyl)benzamide
CID 10252153
N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-(oxan-2-ylmethoxy)acetamide
CID 91842488
N-(1H-benzimidazol-2-ylmethyl)-1,4-dioxane-2-carboxamide
CID 47178137
3-chloro-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]benzamide
CID 10434419
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 77094237
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-[3-(1-methylbenzimidazol-2-yl)propanoyl]morpholine-2-carboxamide
CID 110082542
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56882007
N-[(3-chlorophenyl)methyl]oxolane-2-carboxamide
CID 2971265
2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]acetamide
CID 118778380
N-[[3-[(oxane-2-carbonylamino)methyl]phenyl]methyl]oxane-2-carboxamide
CID 127697163

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]oxane-2-carboxamide?
The IUPAC name of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]oxane-2-carboxamide (CID 118795559) is N-[(6-chloro-1H-benzimidazol-2-yl)methyl]oxane-2-carboxamide.
What is the SMILES notation for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]oxane-2-carboxamide?
The canonical SMILES for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]oxane-2-carboxamide is O=C(NCc1nc2ccc(Cl)cc2[nH]1)C1CCCCO1.
What is the InChIKey of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]oxane-2-carboxamide?
The InChIKey is AMNHMLIRIREPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c15-9-4-5-10-11(7-9)18-13(17-10)8-16-14(19)12-3-1-2-6-20-12/h4-5,7,12H,1-3,6,8H2,(H,16,19)(H,17,18).
What are the key properties of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]oxane-2-carboxamide?
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]oxane-2-carboxamide has a molecular weight of 293.75 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]oxane-2-carboxamide is sourced from PubChem (CID 118795559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).