3-ethyl-2-[hydroxy-(1-methylindazol-6-yl)-phenylmethyl]-N-methylbenzimidazole-5-carboxamide

C26H25N5O2 — CID 126726340

IUPAC3-ethyl-2-[hydroxy-(1-methylindazol-6-yl)-phenylmethyl]-N-methylbenzimidazole-5-carboxamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccc3cnn(C)c3c2)nc2ccc(C(=O)NC)cc21
InChIInChI=1S/C26H25N5O2/c1-4-31-23-14-17(24(32)27-2)11-13-21(23)29-25(31)26(33,19-8-6-5-7-9-19)20-12-10-18-16-28-30(3)22(18)15-20/h5-16,33H,4H2,1-3H3,(H,27,32)
InChIKeyRMDLYQSPQRUGGQ-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.59
Rot. Bonds5

About 3-ethyl-2-[hydroxy-(1-methylindazol-6-yl)-phenylmethyl]-N-methylbenzimidazole-5-carboxamide

3-ethyl-2-[hydroxy-(1-methylindazol-6-yl)-phenylmethyl]-N-methylbenzimidazole-5-carboxamide (PubChem CID 126726340) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 3-ethyl-2-[hydroxy-(1-methylindazol-6-yl)-phenylmethyl]-N-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-2-[hydroxy-(1-methylindazol-6-yl)-phenylmethyl]-N-methylbenzimidazole-5-carboxamide
PubChem CID126726340
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name3-ethyl-2-[hydroxy-(1-methylindazol-6-yl)-phenylmethyl]-N-methylbenzimidazole-5-carboxamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccc3cnn(C)c3c2)nc2ccc(C(=O)NC)cc21
InChIInChI=1S/C26H25N5O2/c1-4-31-23-14-17(24(32)27-2)11-13-21(23)29-25(31)26(33,19-8-6-5-7-9-19)20-12-10-18-16-28-30(3)22(18)15-20/h5-16,33H,4H2,1-3H3,(H,27,32)
InChIKeyRMDLYQSPQRUGGQ-UHFFFAOYSA-N
XLogP3.59
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-ethyl-2-[hydroxy-(1-methylindazol-6-yl)-phenylmethyl]-N-methylbenzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[hydroxy-(1-methylindazol-6-yl)-phenylmethyl]-N-methylbenzimidazole-5-carboxamide?
The IUPAC name of 3-ethyl-2-[hydroxy-(1-methylindazol-6-yl)-phenylmethyl]-N-methylbenzimidazole-5-carboxamide (CID 126726340) is 3-ethyl-2-[hydroxy-(1-methylindazol-6-yl)-phenylmethyl]-N-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-2-[hydroxy-(1-methylindazol-6-yl)-phenylmethyl]-N-methylbenzimidazole-5-carboxamide?
The canonical SMILES for 3-ethyl-2-[hydroxy-(1-methylindazol-6-yl)-phenylmethyl]-N-methylbenzimidazole-5-carboxamide is CCn1c(C(O)(c2ccccc2)c2ccc3cnn(C)c3c2)nc2ccc(C(=O)NC)cc21.
What is the InChIKey of 3-ethyl-2-[hydroxy-(1-methylindazol-6-yl)-phenylmethyl]-N-methylbenzimidazole-5-carboxamide?
The InChIKey is RMDLYQSPQRUGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-4-31-23-14-17(24(32)27-2)11-13-21(23)29-25(31)26(33,19-8-6-5-7-9-19)20-12-10-18-16-28-30(3)22(18)15-20/h5-16,33H,4H2,1-3H3,(H,27,32).
What are the key properties of 3-ethyl-2-[hydroxy-(1-methylindazol-6-yl)-phenylmethyl]-N-methylbenzimidazole-5-carboxamide?
3-ethyl-2-[hydroxy-(1-methylindazol-6-yl)-phenylmethyl]-N-methylbenzimidazole-5-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[hydroxy-(1-methylindazol-6-yl)-phenylmethyl]-N-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 126726340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).