1-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid

C17H21N3O3 — CID 56811562

IUPAC1-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1nc2ccccc2n1CC(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C17H21N3O3/c1-12-18-13-7-3-4-8-14(13)20(12)11-15(21)19-17(16(22)23)9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,19,21)(H,22,23)
InChIKeyZDXQOFHCXONCPA-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.25
Rot. Bonds4

About 1-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid

1-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 56811562) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID56811562
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1nc2ccccc2n1CC(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C17H21N3O3/c1-12-18-13-7-3-4-8-14(13)20(12)11-15(21)19-17(16(22)23)9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,19,21)(H,22,23)
InChIKeyZDXQOFHCXONCPA-UHFFFAOYSA-N
XLogP2.25
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538713
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
N-cyclopropyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755737
2-(1-hydroxycyclohexyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 111331643
N-(2-acetamidoethyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 47131203
[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]thiourea
CID 42631308
2-(2-methylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanone
CID 39917000
N-(5-chloro-2-pyridinyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 40688756
N-(benzylideneamino)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 4173634
N'-[2-(2-methylbenzimidazol-1-yl)acetyl]-2-(2-methylphenyl)acetohydrazide
CID 127044969
N-(4-iodophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755726
2-(2-methylbenzimidazol-1-yl)-N-(2-phenoxyethyl)acetamide
CID 51190450

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid (CID 56811562) is 1-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid is Cc1nc2ccccc2n1CC(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is ZDXQOFHCXONCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-18-13-7-3-4-8-14(13)20(12)11-15(21)19-17(16(22)23)9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,19,21)(H,22,23).
What are the key properties of 1-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
1-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 315.37 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 56811562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).