N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide

C17H23N3O2 — CID 110909164

IUPACN-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide
SMILESCCn1c(CCNC(=O)C2(O)CCCC2)nc2ccccc21
InChIInChI=1S/C17H23N3O2/c1-2-20-14-8-4-3-7-13(14)19-15(20)9-12-18-16(21)17(22)10-5-6-11-17/h3-4,7-8,22H,2,5-6,9-12H2,1H3,(H,18,21)
InChIKeyCFMRAIAPDXMHEE-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.02
Rot. Bonds5

About N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide

N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide (PubChem CID 110909164) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide
PubChem CID110909164
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide
SMILESCCn1c(CCNC(=O)C2(O)CCCC2)nc2ccccc21
InChIInChI=1S/C17H23N3O2/c1-2-20-14-8-4-3-7-13(14)19-15(20)9-12-18-16(21)17(22)10-5-6-11-17/h3-4,7-8,22H,2,5-6,9-12H2,1H3,(H,18,21)
InChIKeyCFMRAIAPDXMHEE-UHFFFAOYSA-N
XLogP2.02
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936673
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide;formic acid
CID 154912354
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751289
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980199
(2R)-2-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]propanamide
CID 119866308
(2S)-2-ethyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 99831186
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 122556376
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 47012382
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119866315
4-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119866341
3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119866331
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide
CID 16976665

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide?
The IUPAC name of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide (CID 110909164) is N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide is CCn1c(CCNC(=O)C2(O)CCCC2)nc2ccccc21.
What is the InChIKey of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide?
The InChIKey is CFMRAIAPDXMHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-2-20-14-8-4-3-7-13(14)19-15(20)9-12-18-16(21)17(22)10-5-6-11-17/h3-4,7-8,22H,2,5-6,9-12H2,1H3,(H,18,21).
What are the key properties of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide?
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 110909164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).