3,4-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]benzamide

C25H25N3O3 — CID 42933551

IUPAC3,4-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]benzamide
SMILESCOc1ccc(C(=O)NC(Cc2nc3ccccc3n2C)c2ccccc2)cc1OC
InChIInChI=1S/C25H25N3O3/c1-28-21-12-8-7-11-19(21)26-24(28)16-20(17-9-5-4-6-10-17)27-25(29)18-13-14-22(30-2)23(15-18)31-3/h4-15,20H,16H2,1-3H3,(H,27,29)
InChIKeyNBGKISZQKCBFCH-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.30
Rot. Bonds7

About 3,4-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]benzamide

3,4-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]benzamide (PubChem CID 42933551) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]benzamide
PubChem CID42933551
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name3,4-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]benzamide
SMILESCOc1ccc(C(=O)NC(Cc2nc3ccccc3n2C)c2ccccc2)cc1OC
InChIInChI=1S/C25H25N3O3/c1-28-21-12-8-7-11-19(21)26-24(28)16-20(17-9-5-4-6-10-17)27-25(29)18-13-14-22(30-2)23(15-18)31-3/h4-15,20H,16H2,1-3H3,(H,27,29)
InChIKeyNBGKISZQKCBFCH-UHFFFAOYSA-N
XLogP4.30
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]benzamide
CID 42933546
4-methyl-N-[(1R)-2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]-3-nitrobenzamide
CID 25388420
N-[(1S)-2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]-4-methylsulfonyl-3-nitrobenzamide
CID 41171401
1-methyl-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]-6-oxopyridazine-3-carboxamide
CID 42933561
[(2R)-2-[(3,4-dimethoxybenzoyl)amino]-2-phenylethyl]-dimethylazanium
CID 8936252
1-[3-methoxy-4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]ethanone
CID 51103696
3,4-dimethoxy-N-[(1-phenacylbenzimidazol-2-yl)methyl]benzamide
CID 17008517
4-chloro-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]-2-nitrobenzamide
CID 42933537
2-chloro-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]-4-nitrobenzamide
CID 42933542
methyl 2-[2-[[(3,4-dimethoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate
CID 17008513
propan-2-yl 2-[2-[[(3,4-dimethoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate
CID 17008515
3,4-dimethoxy-N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010037

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]benzamide (CID 42933551) is 3,4-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]benzamide is COc1ccc(C(=O)NC(Cc2nc3ccccc3n2C)c2ccccc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]benzamide?
The InChIKey is NBGKISZQKCBFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-28-21-12-8-7-11-19(21)26-24(28)16-20(17-9-5-4-6-10-17)27-25(29)18-13-14-22(30-2)23(15-18)31-3/h4-15,20H,16H2,1-3H3,(H,27,29).
What are the key properties of 3,4-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]benzamide?
3,4-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]benzamide has a molecular weight of 415.49 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]benzamide is sourced from PubChem (CID 42933551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).