N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]cyclopropanecarboxamide

C21H23N3O — CID 50765566

IUPACN-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]cyclopropanecarboxamide
SMILESCCn1c(CCc2ccc(NC(=O)C3CC3)cc2)nc2ccccc21
InChIInChI=1S/C21H23N3O/c1-2-24-19-6-4-3-5-18(19)23-20(24)14-9-15-7-12-17(13-8-15)22-21(25)16-10-11-16/h3-8,12-13,16H,2,9-11,14H2,1H3,(H,22,25)
InChIKeyMYWMVOSQYLUJCT-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.19
Rot. Bonds6

About N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]cyclopropanecarboxamide

N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 50765566) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]cyclopropanecarboxamide
PubChem CID50765566
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]cyclopropanecarboxamide
SMILESCCn1c(CCc2ccc(NC(=O)C3CC3)cc2)nc2ccccc21
InChIInChI=1S/C21H23N3O/c1-2-24-19-6-4-3-5-18(19)23-20(24)14-9-15-7-12-17(13-8-15)22-21(25)16-10-11-16/h3-8,12-13,16H,2,9-11,14H2,1H3,(H,22,25)
InChIKeyMYWMVOSQYLUJCT-UHFFFAOYSA-N
XLogP4.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-4-carboxamide
CID 124830583
N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969775
N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide
CID 46290501
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-5-thiophen-2-ylpyrazolidine-3-carboxamide
CID 75187239
N-(3,4-dichlorophenyl)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 124830854
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-methoxybenzamide
CID 50765558
(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide
CID 124831148
(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(4-fluorophenyl)piperidine-3-carboxamide
CID 124831327
(3R)-N-(4-bromophenyl)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124831109
(3S)-N-(4-chlorophenyl)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124831312
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 50765570
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 94070093

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]cyclopropanecarboxamide (CID 50765566) is N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]cyclopropanecarboxamide is CCn1c(CCc2ccc(NC(=O)C3CC3)cc2)nc2ccccc21.
What is the InChIKey of N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is MYWMVOSQYLUJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-2-24-19-6-4-3-5-18(19)23-20(24)14-9-15-7-12-17(13-8-15)22-21(25)16-10-11-16/h3-8,12-13,16H,2,9-11,14H2,1H3,(H,22,25).
What are the key properties of N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]cyclopropanecarboxamide?
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 333.44 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 50765566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).