2-[2-cyclopropyl-5-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetic acid

C24H26N4O2 — CID 19378903

IUPAC2-[2-cyclopropyl-5-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetic acid
SMILESCCCc1nc2c(C)cccc2n1Cc1ccc2c(c1)nc(C1CC1)n2CC(=O)O
InChIInChI=1S/C24H26N4O2/c1-3-5-21-26-23-15(2)6-4-7-20(23)27(21)13-16-8-11-19-18(12-16)25-24(17-9-10-17)28(19)14-22(29)30/h4,6-8,11-12,17H,3,5,9-10,13-14H2,1-2H3,(H,29,30)
InChIKeyOWEUGEJNQNIQQA-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.66
Rot. Bonds7

About 2-[2-cyclopropyl-5-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetic acid

2-[2-cyclopropyl-5-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetic acid (PubChem CID 19378903) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-[2-cyclopropyl-5-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-cyclopropyl-5-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetic acid
PubChem CID19378903
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name2-[2-cyclopropyl-5-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetic acid
SMILESCCCc1nc2c(C)cccc2n1Cc1ccc2c(c1)nc(C1CC1)n2CC(=O)O
InChIInChI=1S/C24H26N4O2/c1-3-5-21-26-23-15(2)6-4-7-20(23)27(21)13-16-8-11-19-18(12-16)25-24(17-9-10-17)28(19)14-22(29)30/h4,6-8,11-12,17H,3,5,9-10,13-14H2,1-2H3,(H,29,30)
InChIKeyOWEUGEJNQNIQQA-UHFFFAOYSA-N
XLogP4.66
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]-2-phenylphenyl]methyl]propanedioic acid
CID 67878319
2-(4-amino-2-propylbenzimidazol-1-yl)acetic acid
CID 67202043
3-[(2-cyclopropylbenzimidazol-1-yl)methyl]benzoic acid
CID 82144581
2-(2-cyclohexyl-1-propylbenzimidazol-5-yl)acetic acid
CID 82142102
2-(2-cyclobutyl-5-fluorobenzimidazol-1-yl)acetic acid
CID 124926342
(2E)-2-[6-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene]propanenitrile
CID 69015807
4-methyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]methyl]benzimidazole
CID 45488125
(NZ)-N-[2-[8-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]-6H-benzo[c][1]benzoxepin-11-ylidene]ethylidene]hydroxylamine
CID 86656743
2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-5-carboxylic acid
CID 43566686
2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-4-carboxylic acid
CID 115543126
1-(cyclobutylmethyl)-2-propylbenzimidazole-4-carboxylic acid
CID 115543043
2-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]cyclopentane-1-carboxylic acid
CID 15284923

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclopropyl-5-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[2-cyclopropyl-5-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetic acid (CID 19378903) is 2-[2-cyclopropyl-5-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-cyclopropyl-5-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[2-cyclopropyl-5-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetic acid is CCCc1nc2c(C)cccc2n1Cc1ccc2c(c1)nc(C1CC1)n2CC(=O)O.
What is the InChIKey of 2-[2-cyclopropyl-5-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetic acid?
The InChIKey is OWEUGEJNQNIQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-3-5-21-26-23-15(2)6-4-7-20(23)27(21)13-16-8-11-19-18(12-16)25-24(17-9-10-17)28(19)14-22(29)30/h4,6-8,11-12,17H,3,5,9-10,13-14H2,1-2H3,(H,29,30).
What are the key properties of 2-[2-cyclopropyl-5-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetic acid?
2-[2-cyclopropyl-5-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetic acid has a molecular weight of 402.50 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclopropyl-5-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetic acid is sourced from PubChem (CID 19378903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).