3-[(5R)-5-carboxy-1-propyl-6,7-dihydro-4H-benzimidazol-5-yl]propylazanium

C14H24N3O2+ — CID 117072105

IUPAC3-[(5R)-5-carboxy-1-propyl-6,7-dihydro-4H-benzimidazol-5-yl]propylazanium
SMILESCCCn1cnc2c1CC[C@@](CCC[NH3+])(C(=O)O)C2
InChIInChI=1S/C14H23N3O2/c1-2-8-17-10-16-11-9-14(13(18)19,5-3-7-15)6-4-12(11)17/h10H,2-9,15H2,1H3,(H,18,19)/p+1/t14-/m1/s1
InChIKeyDPDWQELEXVLQSO-CQSZACIVSA-O
MW266.36 g/mol
LogP0.87
Rot. Bonds6

About 3-[(5R)-5-carboxy-1-propyl-6,7-dihydro-4H-benzimidazol-5-yl]propylazanium

3-[(5R)-5-carboxy-1-propyl-6,7-dihydro-4H-benzimidazol-5-yl]propylazanium (PubChem CID 117072105) has the molecular formula C14H24N3O2+ and a molecular weight of 266.36 g/mol. Its IUPAC name is 3-[(5R)-5-carboxy-1-propyl-6,7-dihydro-4H-benzimidazol-5-yl]propylazanium.

Molecular Properties

Compound Name3-[(5R)-5-carboxy-1-propyl-6,7-dihydro-4H-benzimidazol-5-yl]propylazanium
PubChem CID117072105
Molecular FormulaC14H24N3O2+
Molecular Weight266.36 g/mol
Exact Mass266.19
IUPAC Name3-[(5R)-5-carboxy-1-propyl-6,7-dihydro-4H-benzimidazol-5-yl]propylazanium
SMILESCCCn1cnc2c1CC[C@@](CCC[NH3+])(C(=O)O)C2
InChIInChI=1S/C14H23N3O2/c1-2-8-17-10-16-11-9-14(13(18)19,5-3-7-15)6-4-12(11)17/h10H,2-9,15H2,1H3,(H,18,19)/p+1/t14-/m1/s1
InChIKeyDPDWQELEXVLQSO-CQSZACIVSA-O
XLogP0.87
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5R)-5-carboxy-1-propyl-6,7-dihydro-4H-benzimidazol-5-yl]propylazanium?
The IUPAC name of 3-[(5R)-5-carboxy-1-propyl-6,7-dihydro-4H-benzimidazol-5-yl]propylazanium (CID 117072105) is 3-[(5R)-5-carboxy-1-propyl-6,7-dihydro-4H-benzimidazol-5-yl]propylazanium.
What is the SMILES notation for 3-[(5R)-5-carboxy-1-propyl-6,7-dihydro-4H-benzimidazol-5-yl]propylazanium?
The canonical SMILES for 3-[(5R)-5-carboxy-1-propyl-6,7-dihydro-4H-benzimidazol-5-yl]propylazanium is CCCn1cnc2c1CC[C@@](CCC[NH3+])(C(=O)O)C2.
What is the InChIKey of 3-[(5R)-5-carboxy-1-propyl-6,7-dihydro-4H-benzimidazol-5-yl]propylazanium?
The InChIKey is DPDWQELEXVLQSO-CQSZACIVSA-O. The full InChI is InChI=1S/C14H23N3O2/c1-2-8-17-10-16-11-9-14(13(18)19,5-3-7-15)6-4-12(11)17/h10H,2-9,15H2,1H3,(H,18,19)/p+1/t14-/m1/s1.
What are the key properties of 3-[(5R)-5-carboxy-1-propyl-6,7-dihydro-4H-benzimidazol-5-yl]propylazanium?
3-[(5R)-5-carboxy-1-propyl-6,7-dihydro-4H-benzimidazol-5-yl]propylazanium has a molecular weight of 266.36 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5R)-5-carboxy-1-propyl-6,7-dihydro-4H-benzimidazol-5-yl]propylazanium is sourced from PubChem (CID 117072105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).