3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propanamide

C19H25N5O2 — CID 135091789

IUPAC3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propanamide
SMILESCOCCn1cncc1CNC(=O)CCc1nc2cc(C)c(C)cc2[nH]1
InChIInChI=1S/C19H25N5O2/c1-13-8-16-17(9-14(13)2)23-18(22-16)4-5-19(25)21-11-15-10-20-12-24(15)6-7-26-3/h8-10,12H,4-7,11H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyHQBQXMBZVMCRMY-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.27
Rot. Bonds8

About 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propanamide

3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propanamide (PubChem CID 135091789) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propanamide
PubChem CID135091789
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propanamide
SMILESCOCCn1cncc1CNC(=O)CCc1nc2cc(C)c(C)cc2[nH]1
InChIInChI=1S/C19H25N5O2/c1-13-8-16-17(9-14(13)2)23-18(22-16)4-5-19(25)21-11-15-10-20-12-24(15)6-7-26-3/h8-10,12H,4-7,11H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyHQBQXMBZVMCRMY-UHFFFAOYSA-N
XLogP2.27
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2,3,5,6-tetramethylbenzamide
CID 46992676
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2,6-dimethylquinoline-4-carboxamide
CID 50953394
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2,6-dimethylquinoline-3-carboxamide
CID 46992098
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(1H-imidazol-5-yl)acetamide
CID 86285918
4-fluoro-3-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]benzamide
CID 91773799
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-[(3S)-1-(2-methoxyethyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 42479262
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]cyclopentanecarboxamide
CID 91774846
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]propanamide
CID 118767754
2-ethylsulfanyl-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propanamide
CID 135110031
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]propanamide
CID 126448508
3-cyano-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 56744624
2-chloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 118736120

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propanamide?
The IUPAC name of 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propanamide (CID 135091789) is 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propanamide.
What is the SMILES notation for 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propanamide?
The canonical SMILES for 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propanamide is COCCn1cncc1CNC(=O)CCc1nc2cc(C)c(C)cc2[nH]1.
What is the InChIKey of 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propanamide?
The InChIKey is HQBQXMBZVMCRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-13-8-16-17(9-14(13)2)23-18(22-16)4-5-19(25)21-11-15-10-20-12-24(15)6-7-26-3/h8-10,12H,4-7,11H2,1-3H3,(H,21,25)(H,22,23).
What are the key properties of 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propanamide?
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propanamide has a molecular weight of 355.44 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propanamide is sourced from PubChem (CID 135091789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).