N-(2-hydroxyethyl)-2-(2-methylbenzimidazol-1-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]propanamide

C18H23N5O2 — CID 135116618

IUPACN-(2-hydroxyethyl)-2-(2-methylbenzimidazol-1-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]propanamide
SMILESCc1[nH]cnc1CN(CCO)C(=O)C(C)n1c(C)nc2ccccc21
InChIInChI=1S/C18H23N5O2/c1-12-16(20-11-19-12)10-22(8-9-24)18(25)13(2)23-14(3)21-15-6-4-5-7-17(15)23/h4-7,11,13,24H,8-10H2,1-3H3,(H,19,20)
InChIKeyPFJGCYLNAZRYLK-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.96
Rot. Bonds6

About N-(2-hydroxyethyl)-2-(2-methylbenzimidazol-1-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]propanamide

N-(2-hydroxyethyl)-2-(2-methylbenzimidazol-1-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]propanamide (PubChem CID 135116618) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(2-methylbenzimidazol-1-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(2-methylbenzimidazol-1-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]propanamide
PubChem CID135116618
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-(2-hydroxyethyl)-2-(2-methylbenzimidazol-1-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]propanamide
SMILESCc1[nH]cnc1CN(CCO)C(=O)C(C)n1c(C)nc2ccccc21
InChIInChI=1S/C18H23N5O2/c1-12-16(20-11-19-12)10-22(8-9-24)18(25)13(2)23-14(3)21-15-6-4-5-7-17(15)23/h4-7,11,13,24H,8-10H2,1-3H3,(H,19,20)
InChIKeyPFJGCYLNAZRYLK-UHFFFAOYSA-N
XLogP1.96
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-(2-methylbenzimidazol-1-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide
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2-(2-methylbenzimidazol-1-yl)propanoic acid
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N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-phenylpropanamide
CID 135103279
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide
CID 135100516
2-(2-methylbenzimidazol-1-yl)-N-prop-2-enylpropanamide
CID 78913706
2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide
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4-(azepan-1-yl)-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]butanamide
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N-[(4-fluorophenyl)methyl]-2-(2-methylbenzimidazol-1-yl)propanamide
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N-[(4-methoxyphenyl)methyl]-2-(2-methylbenzimidazol-1-yl)-N-(1-methylpiperidin-4-yl)propanamide
CID 46970183
2-(benzimidazol-1-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115771254
methyl 2-(2-methylbenzimidazol-1-yl)butanoate
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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(2-methylbenzimidazol-1-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]propanamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(2-methylbenzimidazol-1-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]propanamide (CID 135116618) is N-(2-hydroxyethyl)-2-(2-methylbenzimidazol-1-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(2-methylbenzimidazol-1-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(2-methylbenzimidazol-1-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]propanamide is Cc1[nH]cnc1CN(CCO)C(=O)C(C)n1c(C)nc2ccccc21.
What is the InChIKey of N-(2-hydroxyethyl)-2-(2-methylbenzimidazol-1-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]propanamide?
The InChIKey is PFJGCYLNAZRYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-12-16(20-11-19-12)10-22(8-9-24)18(25)13(2)23-14(3)21-15-6-4-5-7-17(15)23/h4-7,11,13,24H,8-10H2,1-3H3,(H,19,20).
What are the key properties of N-(2-hydroxyethyl)-2-(2-methylbenzimidazol-1-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]propanamide?
N-(2-hydroxyethyl)-2-(2-methylbenzimidazol-1-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]propanamide has a molecular weight of 341.42 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(2-methylbenzimidazol-1-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]propanamide is sourced from PubChem (CID 135116618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).