2-[4-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]phenyl]-N-methylacetamide

C19H21N5O2 — CID 86988501

IUPAC2-[4-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(NC(=O)NC(C)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H21N5O2/c1-12(18-23-15-5-3-4-6-16(15)24-18)21-19(26)22-14-9-7-13(8-10-14)11-17(25)20-2/h3-10,12H,11H2,1-2H3,(H,20,25)(H,23,24)(H2,21,22,26)
InChIKeySZEBVNQHENXYKB-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.73
Rot. Bonds5

About 2-[4-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]phenyl]-N-methylacetamide

2-[4-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]phenyl]-N-methylacetamide (PubChem CID 86988501) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[4-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]phenyl]-N-methylacetamide
PubChem CID86988501
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name2-[4-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(NC(=O)NC(C)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H21N5O2/c1-12(18-23-15-5-3-4-6-16(15)24-18)21-19(26)22-14-9-7-13(8-10-14)11-17(25)20-2/h3-10,12H,11H2,1-2H3,(H,20,25)(H,23,24)(H2,21,22,26)
InChIKeySZEBVNQHENXYKB-UHFFFAOYSA-N
XLogP2.73
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetamidophenyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 75136988
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-bromophenyl)acetamide
CID 18116415
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-3-ylurea
CID 18129110
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
CID 23548549
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 25345580
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 18116312
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-naphthalen-1-ylurea
CID 18144661
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
N-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]-2-fluorophenyl]acetamide
CID 86988262
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 2906148
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]phenyl]-N-methylacetamide?
The IUPAC name of 2-[4-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]phenyl]-N-methylacetamide (CID 86988501) is 2-[4-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[4-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]phenyl]-N-methylacetamide is CNC(=O)Cc1ccc(NC(=O)NC(C)c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-[4-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]phenyl]-N-methylacetamide?
The InChIKey is SZEBVNQHENXYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-12(18-23-15-5-3-4-6-16(15)24-18)21-19(26)22-14-9-7-13(8-10-14)11-17(25)20-2/h3-10,12H,11H2,1-2H3,(H,20,25)(H,23,24)(H2,21,22,26).
What are the key properties of 2-[4-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]phenyl]-N-methylacetamide?
2-[4-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]phenyl]-N-methylacetamide has a molecular weight of 351.41 g/mol, XLogP of 2.73, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 86988501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).