2-propyl-1-(1,3-thiazol-4-ylmethyl)benzimidazole-5-carboxylic acid

C15H15N3O2S — CID 63823909

IUPAC2-propyl-1-(1,3-thiazol-4-ylmethyl)benzimidazole-5-carboxylic acid
SMILESCCCc1nc2cc(C(=O)O)ccc2n1Cc1cscn1
InChIInChI=1S/C15H15N3O2S/c1-2-3-14-17-12-6-10(15(19)20)4-5-13(12)18(14)7-11-8-21-9-16-11/h4-6,8-9H,2-3,7H2,1H3,(H,19,20)
InChIKeyBNFAYDTUGCNXRW-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.19
Rot. Bonds5

About 2-propyl-1-(1,3-thiazol-4-ylmethyl)benzimidazole-5-carboxylic acid

2-propyl-1-(1,3-thiazol-4-ylmethyl)benzimidazole-5-carboxylic acid (PubChem CID 63823909) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-propyl-1-(1,3-thiazol-4-ylmethyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-propyl-1-(1,3-thiazol-4-ylmethyl)benzimidazole-5-carboxylic acid
PubChem CID63823909
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name2-propyl-1-(1,3-thiazol-4-ylmethyl)benzimidazole-5-carboxylic acid
SMILESCCCc1nc2cc(C(=O)O)ccc2n1Cc1cscn1
InChIInChI=1S/C15H15N3O2S/c1-2-3-14-17-12-6-10(15(19)20)4-5-13(12)18(14)7-11-8-21-9-16-11/h4-6,8-9H,2-3,7H2,1H3,(H,19,20)
InChIKeyBNFAYDTUGCNXRW-UHFFFAOYSA-N
XLogP3.19
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(ethylamino)-2-oxoethyl]-2-propylbenzimidazole-5-carboxylic acid
CID 43566684
2-propyl-3-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid
CID 82774746
2-ethyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid
CID 63246728
1-(2-acetamidoethyl)-2-propylbenzimidazole-5-carboxylic acid
CID 43552983
4-[[5-bromo-2-(2-chloroethyl)benzimidazol-1-yl]methyl]-1,3-thiazole
CID 63823547
2-(2-chloroethyl)-1-ethylbenzimidazole-5-carboxylic acid
CID 100586866
2-propyl-1-(thiolan-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 80584048
1-(1,3-dihydroxypropan-2-yl)-2-propylbenzimidazole-5-carboxylic acid
CID 65313317
1-propan-2-yl-2-propylbenzimidazole-5-carboxylic acid
CID 43322841
2-ethyl-1-[(1-methylimidazol-2-yl)methyl]benzimidazole-5-carboxylic acid
CID 63295630
4-[[5-[hydroxy(phenyl)methyl]-2-propylbenzimidazol-1-yl]methyl]benzoic acid
CID 15546114
1-(4-hydroxybutan-2-yl)-2-propylbenzimidazole-5-carboxylic acid
CID 83187971

Frequently Asked Questions

What is the IUPAC name of 2-propyl-1-(1,3-thiazol-4-ylmethyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 2-propyl-1-(1,3-thiazol-4-ylmethyl)benzimidazole-5-carboxylic acid (CID 63823909) is 2-propyl-1-(1,3-thiazol-4-ylmethyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-propyl-1-(1,3-thiazol-4-ylmethyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-propyl-1-(1,3-thiazol-4-ylmethyl)benzimidazole-5-carboxylic acid is CCCc1nc2cc(C(=O)O)ccc2n1Cc1cscn1.
What is the InChIKey of 2-propyl-1-(1,3-thiazol-4-ylmethyl)benzimidazole-5-carboxylic acid?
The InChIKey is BNFAYDTUGCNXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-2-3-14-17-12-6-10(15(19)20)4-5-13(12)18(14)7-11-8-21-9-16-11/h4-6,8-9H,2-3,7H2,1H3,(H,19,20).
What are the key properties of 2-propyl-1-(1,3-thiazol-4-ylmethyl)benzimidazole-5-carboxylic acid?
2-propyl-1-(1,3-thiazol-4-ylmethyl)benzimidazole-5-carboxylic acid has a molecular weight of 301.37 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1-(1,3-thiazol-4-ylmethyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 63823909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).