2-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methylcarbamoyl]furan-3-carboxylic acid

C18H17N3O4 — CID 167881813

IUPAC2-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methylcarbamoyl]furan-3-carboxylic acid
SMILESCn1c(C2CC2)nc2cc(CNC(=O)c3occc3C(=O)O)ccc21
InChIInChI=1S/C18H17N3O4/c1-21-14-5-2-10(8-13(14)20-16(21)11-3-4-11)9-19-17(22)15-12(18(23)24)6-7-25-15/h2,5-8,11H,3-4,9H2,1H3,(H,19,22)(H,23,24)
InChIKeyWQEMJCBWKHPNJA-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.67
Rot. Bonds5

About 2-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methylcarbamoyl]furan-3-carboxylic acid

2-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methylcarbamoyl]furan-3-carboxylic acid (PubChem CID 167881813) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methylcarbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methylcarbamoyl]furan-3-carboxylic acid
PubChem CID167881813
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name2-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methylcarbamoyl]furan-3-carboxylic acid
SMILESCn1c(C2CC2)nc2cc(CNC(=O)c3occc3C(=O)O)ccc21
InChIInChI=1S/C18H17N3O4/c1-21-14-5-2-10(8-13(14)20-16(21)11-3-4-11)9-19-17(22)15-12(18(23)24)6-7-25-15/h2,5-8,11H,3-4,9H2,1H3,(H,19,22)(H,23,24)
InChIKeyWQEMJCBWKHPNJA-UHFFFAOYSA-N
XLogP2.67
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-methoxybenzamide
CID 110786150
N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]pentanamide
CID 110786135
2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-(2-methylpropyl)acetamide
CID 110773345
2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 110773369
N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-(3-fluorophenyl)acetamide
CID 110786170
N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylfuran-3-carboxamide
CID 75392652
1-benzyl-3-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]urea
CID 110776249
N-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 110791866
4-(2-cyclopropyl-1-methylbenzimidazol-5-yl)butan-2-one
CID 82497246
2-cyclopropyl-5-[(dimethylsulfamoylamino)methyl]-1-methylbenzimidazole
CID 110786179
N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]piperidine-1-sulfonamide
CID 100762191
N-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]-2-methoxybenzamide
CID 110791879

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methylcarbamoyl]furan-3-carboxylic acid?
The IUPAC name of 2-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methylcarbamoyl]furan-3-carboxylic acid (CID 167881813) is 2-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methylcarbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methylcarbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methylcarbamoyl]furan-3-carboxylic acid is Cn1c(C2CC2)nc2cc(CNC(=O)c3occc3C(=O)O)ccc21.
What is the InChIKey of 2-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methylcarbamoyl]furan-3-carboxylic acid?
The InChIKey is WQEMJCBWKHPNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-21-14-5-2-10(8-13(14)20-16(21)11-3-4-11)9-19-17(22)15-12(18(23)24)6-7-25-15/h2,5-8,11H,3-4,9H2,1H3,(H,19,22)(H,23,24).
What are the key properties of 2-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methylcarbamoyl]furan-3-carboxylic acid?
2-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methylcarbamoyl]furan-3-carboxylic acid has a molecular weight of 339.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methylcarbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 167881813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).