3-ethoxy-N-(1-propylbenzimidazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide

C25H26N4O3 — CID 39108258

IUPAC3-ethoxy-N-(1-propylbenzimidazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCCn1c(NC(=O)c2ccc(OCc3cccnc3)c(OCC)c2)nc2ccccc21
InChIInChI=1S/C25H26N4O3/c1-3-14-29-21-10-6-5-9-20(21)27-25(29)28-24(30)19-11-12-22(23(15-19)31-4-2)32-17-18-8-7-13-26-16-18/h5-13,15-16H,3-4,14,17H2,1-2H3,(H,27,28,30)
InChIKeyVLLXVLRJSOVBEU-UHFFFAOYSA-N
MW430.51 g/mol
LogP5.07
Rot. Bonds9

About 3-ethoxy-N-(1-propylbenzimidazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide

3-ethoxy-N-(1-propylbenzimidazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 39108258) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 3-ethoxy-N-(1-propylbenzimidazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-(1-propylbenzimidazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID39108258
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name3-ethoxy-N-(1-propylbenzimidazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCCn1c(NC(=O)c2ccc(OCc3cccnc3)c(OCC)c2)nc2ccccc21
InChIInChI=1S/C25H26N4O3/c1-3-14-29-21-10-6-5-9-20(21)27-25(29)28-24(30)19-11-12-22(23(15-19)31-4-2)32-17-18-8-7-13-26-16-18/h5-13,15-16H,3-4,14,17H2,1-2H3,(H,27,28,30)
InChIKeyVLLXVLRJSOVBEU-UHFFFAOYSA-N
XLogP5.07
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.51
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-ethoxy-N-(1-propylbenzimidazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-ethoxy-4-[(1-ethylbenzimidazol-2-yl)carbamoyl]phenoxy]acetic acid
CID 119179389
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39270460
N-(2-butoxyphenyl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 55953832
4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide
CID 30837646
3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 46426672
3-ethoxy-N-(2-phenylphenyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 39676638
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide
CID 55576480
3,4-diethoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 60520684
3-ethoxy-N-(3-fluorophenyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 39111619
3-ethoxy-4-(pyridin-3-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 25345669
3-ethoxy-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 71848488
3-methyl-N-(1-propylbenzimidazol-2-yl)benzamide
CID 8914480

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(1-propylbenzimidazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of 3-ethoxy-N-(1-propylbenzimidazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide (CID 39108258) is 3-ethoxy-N-(1-propylbenzimidazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for 3-ethoxy-N-(1-propylbenzimidazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for 3-ethoxy-N-(1-propylbenzimidazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide is CCCn1c(NC(=O)c2ccc(OCc3cccnc3)c(OCC)c2)nc2ccccc21.
What is the InChIKey of 3-ethoxy-N-(1-propylbenzimidazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is VLLXVLRJSOVBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-3-14-29-21-10-6-5-9-20(21)27-25(29)28-24(30)19-11-12-22(23(15-19)31-4-2)32-17-18-8-7-13-26-16-18/h5-13,15-16H,3-4,14,17H2,1-2H3,(H,27,28,30).
What are the key properties of 3-ethoxy-N-(1-propylbenzimidazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide?
3-ethoxy-N-(1-propylbenzimidazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 430.51 g/mol, XLogP of 5.07, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(1-propylbenzimidazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 39108258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).