1-propan-2-yl-2-propylbenzimidazole-5-carboxylic acid

C14H18N2O2 — CID 43322841

IUPAC1-propan-2-yl-2-propylbenzimidazole-5-carboxylic acid
SMILESCCCc1nc2cc(C(=O)O)ccc2n1C(C)C
InChIInChI=1S/C14H18N2O2/c1-4-5-13-15-11-8-10(14(17)18)6-7-12(11)16(13)9(2)3/h6-9H,4-5H2,1-3H3,(H,17,18)
InChIKeySRVCVHRVUCIKBQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.27
Rot. Bonds4

About 1-propan-2-yl-2-propylbenzimidazole-5-carboxylic acid

1-propan-2-yl-2-propylbenzimidazole-5-carboxylic acid (PubChem CID 43322841) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-propan-2-yl-2-propylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-propan-2-yl-2-propylbenzimidazole-5-carboxylic acid
PubChem CID43322841
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-propan-2-yl-2-propylbenzimidazole-5-carboxylic acid
SMILESCCCc1nc2cc(C(=O)O)ccc2n1C(C)C
InChIInChI=1S/C14H18N2O2/c1-4-5-13-15-11-8-10(14(17)18)6-7-12(11)16(13)9(2)3/h6-9H,4-5H2,1-3H3,(H,17,18)
InChIKeySRVCVHRVUCIKBQ-UHFFFAOYSA-N
XLogP3.27
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-dihydroxypropan-2-yl)-2-propylbenzimidazole-5-carboxylic acid
CID 65313317
1-(4-hydroxybutan-2-yl)-2-propylbenzimidazole-5-carboxylic acid
CID 83187971
2-ethyl-1-hexan-3-ylbenzimidazole-5-carboxylic acid
CID 62117854
3-[1-(methylamino)-1-oxopropan-2-yl]-2-propylbenzimidazole-5-carboxylic acid
CID 82769223
1-[2-(ethylamino)-2-oxoethyl]-2-propylbenzimidazole-5-carboxylic acid
CID 43566684
2-cyclopropyl-1-propan-2-ylbenzimidazole-5-carboxylic acid
CID 43322840
1-propan-2-yl-2-propylbenzimidazole-4-carboxylic acid
CID 113332159
1-(2-acetamidoethyl)-2-propylbenzimidazole-5-carboxylic acid
CID 43552983
2-methyl-1-pentan-3-ylbenzimidazole-5-carboxylic acid
CID 43322906
2-(2-chloroethyl)-1-ethylbenzimidazole-5-carboxylic acid
CID 100586866
2-methyl-1-octan-2-ylbenzimidazole-5-carboxylic acid
CID 63549544
2-(5,6-dichloro-2-propylbenzimidazol-1-yl)propanoic acid
CID 82145985

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2-propylbenzimidazole-5-carboxylic acid?
The IUPAC name of 1-propan-2-yl-2-propylbenzimidazole-5-carboxylic acid (CID 43322841) is 1-propan-2-yl-2-propylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-propan-2-yl-2-propylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 1-propan-2-yl-2-propylbenzimidazole-5-carboxylic acid is CCCc1nc2cc(C(=O)O)ccc2n1C(C)C.
What is the InChIKey of 1-propan-2-yl-2-propylbenzimidazole-5-carboxylic acid?
The InChIKey is SRVCVHRVUCIKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-4-5-13-15-11-8-10(14(17)18)6-7-12(11)16(13)9(2)3/h6-9H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 1-propan-2-yl-2-propylbenzimidazole-5-carboxylic acid?
1-propan-2-yl-2-propylbenzimidazole-5-carboxylic acid has a molecular weight of 246.31 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2-propylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 43322841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).