N-[4-(2-aminoethyl)phenyl]-2-(1-methylbenzimidazol-2-yl)acetamide

C18H20N4O — CID 21264572

IUPACN-[4-(2-aminoethyl)phenyl]-2-(1-methylbenzimidazol-2-yl)acetamide
SMILESCn1c(CC(=O)Nc2ccc(CCN)cc2)nc2ccccc21
InChIInChI=1S/C18H20N4O/c1-22-16-5-3-2-4-15(16)21-17(22)12-18(23)20-14-8-6-13(7-9-14)10-11-19/h2-9H,10-12,19H2,1H3,(H,20,23)
InChIKeyZWMGCVCXVWBXJU-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.26
Rot. Bonds5

About N-[4-(2-aminoethyl)phenyl]-2-(1-methylbenzimidazol-2-yl)acetamide

N-[4-(2-aminoethyl)phenyl]-2-(1-methylbenzimidazol-2-yl)acetamide (PubChem CID 21264572) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is N-[4-(2-aminoethyl)phenyl]-2-(1-methylbenzimidazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-(2-aminoethyl)phenyl]-2-(1-methylbenzimidazol-2-yl)acetamide
PubChem CID21264572
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC NameN-[4-(2-aminoethyl)phenyl]-2-(1-methylbenzimidazol-2-yl)acetamide
SMILESCn1c(CC(=O)Nc2ccc(CCN)cc2)nc2ccccc21
InChIInChI=1S/C18H20N4O/c1-22-16-5-3-2-4-15(16)21-17(22)12-18(23)20-14-8-6-13(7-9-14)10-11-19/h2-9H,10-12,19H2,1H3,(H,20,23)
InChIKeyZWMGCVCXVWBXJU-UHFFFAOYSA-N
XLogP2.26
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-phenylurea
CID 46382333
2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 45075160
N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]pyridine-4-carboxamide
CID 46290663
N-[(4-acetamidophenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 7043820
N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-2-(4-methylphenyl)acetamide
CID 50784494
1-(3,4-dimethylphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 50825337
1-(2-chlorophenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382332
N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50765693
N-[4-(2-aminoethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 62301337
2-(4-fluorophenyl)-N-[2-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]acetamide
CID 46328474
2-(4-methoxyphenyl)-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]acetamide
CID 46328909
3-(3,4-dimethoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide
CID 24634750

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethyl)phenyl]-2-(1-methylbenzimidazol-2-yl)acetamide?
The IUPAC name of N-[4-(2-aminoethyl)phenyl]-2-(1-methylbenzimidazol-2-yl)acetamide (CID 21264572) is N-[4-(2-aminoethyl)phenyl]-2-(1-methylbenzimidazol-2-yl)acetamide.
What is the SMILES notation for N-[4-(2-aminoethyl)phenyl]-2-(1-methylbenzimidazol-2-yl)acetamide?
The canonical SMILES for N-[4-(2-aminoethyl)phenyl]-2-(1-methylbenzimidazol-2-yl)acetamide is Cn1c(CC(=O)Nc2ccc(CCN)cc2)nc2ccccc21.
What is the InChIKey of N-[4-(2-aminoethyl)phenyl]-2-(1-methylbenzimidazol-2-yl)acetamide?
The InChIKey is ZWMGCVCXVWBXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-22-16-5-3-2-4-15(16)21-17(22)12-18(23)20-14-8-6-13(7-9-14)10-11-19/h2-9H,10-12,19H2,1H3,(H,20,23).
What are the key properties of N-[4-(2-aminoethyl)phenyl]-2-(1-methylbenzimidazol-2-yl)acetamide?
N-[4-(2-aminoethyl)phenyl]-2-(1-methylbenzimidazol-2-yl)acetamide has a molecular weight of 308.39 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethyl)phenyl]-2-(1-methylbenzimidazol-2-yl)acetamide is sourced from PubChem (CID 21264572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).