(5R)-5-(3-aminopropyl)-1-cyclohexyl-6,7-dihydro-4H-benzimidazole-5-carboxylic acid

C17H27N3O2 — CID 90655305

IUPAC(5R)-5-(3-aminopropyl)-1-cyclohexyl-6,7-dihydro-4H-benzimidazole-5-carboxylic acid
SMILESNCCC[C@@]1(C(=O)O)CCc2c(ncn2C2CCCCC2)C1
InChIInChI=1S/C17H27N3O2/c18-10-4-8-17(16(21)22)9-7-15-14(11-17)19-12-20(15)13-5-2-1-3-6-13/h12-13H,1-11,18H2,(H,21,22)/t17-/m1/s1
InChIKeyHYXCCZTWQBSAJR-QGZVFWFLSA-N
MW305.42 g/mol
LogP2.69
Rot. Bonds5

About (5R)-5-(3-aminopropyl)-1-cyclohexyl-6,7-dihydro-4H-benzimidazole-5-carboxylic acid

(5R)-5-(3-aminopropyl)-1-cyclohexyl-6,7-dihydro-4H-benzimidazole-5-carboxylic acid (PubChem CID 90655305) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (5R)-5-(3-aminopropyl)-1-cyclohexyl-6,7-dihydro-4H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name(5R)-5-(3-aminopropyl)-1-cyclohexyl-6,7-dihydro-4H-benzimidazole-5-carboxylic acid
PubChem CID90655305
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name(5R)-5-(3-aminopropyl)-1-cyclohexyl-6,7-dihydro-4H-benzimidazole-5-carboxylic acid
SMILESNCCC[C@@]1(C(=O)O)CCc2c(ncn2C2CCCCC2)C1
InChIInChI=1S/C17H27N3O2/c18-10-4-8-17(16(21)22)9-7-15-14(11-17)19-12-20(15)13-5-2-1-3-6-13/h12-13H,1-11,18H2,(H,21,22)/t17-/m1/s1
InChIKeyHYXCCZTWQBSAJR-QGZVFWFLSA-N
XLogP2.69
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(3-aminopropyl)-1-cyclohexyl-6,7-dihydro-4H-benzimidazole-5-carboxylic acid?
The IUPAC name of (5R)-5-(3-aminopropyl)-1-cyclohexyl-6,7-dihydro-4H-benzimidazole-5-carboxylic acid (CID 90655305) is (5R)-5-(3-aminopropyl)-1-cyclohexyl-6,7-dihydro-4H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for (5R)-5-(3-aminopropyl)-1-cyclohexyl-6,7-dihydro-4H-benzimidazole-5-carboxylic acid?
The canonical SMILES for (5R)-5-(3-aminopropyl)-1-cyclohexyl-6,7-dihydro-4H-benzimidazole-5-carboxylic acid is NCCC[C@@]1(C(=O)O)CCc2c(ncn2C2CCCCC2)C1.
What is the InChIKey of (5R)-5-(3-aminopropyl)-1-cyclohexyl-6,7-dihydro-4H-benzimidazole-5-carboxylic acid?
The InChIKey is HYXCCZTWQBSAJR-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H27N3O2/c18-10-4-8-17(16(21)22)9-7-15-14(11-17)19-12-20(15)13-5-2-1-3-6-13/h12-13H,1-11,18H2,(H,21,22)/t17-/m1/s1.
What are the key properties of (5R)-5-(3-aminopropyl)-1-cyclohexyl-6,7-dihydro-4H-benzimidazole-5-carboxylic acid?
(5R)-5-(3-aminopropyl)-1-cyclohexyl-6,7-dihydro-4H-benzimidazole-5-carboxylic acid has a molecular weight of 305.42 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(3-aminopropyl)-1-cyclohexyl-6,7-dihydro-4H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 90655305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).