N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide;formic acid

C23H34N4O5 — CID 154912354

IUPACN-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide;formic acid
SMILESCCn1c(CCNC(=O)C2(N3CCCC3)CCCC2)nc2ccccc21.O=CO.O=CO
InChIInChI=1S/C21H30N4O.2CH2O2/c1-2-25-18-10-4-3-9-17(18)23-19(25)11-14-22-20(26)21(12-5-6-13-21)24-15-7-8-16-24;2*2-1-3/h3-4,9-10H,2,5-8,11-16H2,1H3,(H,22,26);2*1H,(H,2,3)
InChIKeyGQKAGQZZOHVQNB-UHFFFAOYSA-N
MW446.55 g/mol
LogP2.53
Rot. Bonds6

About N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide;formic acid

N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide;formic acid (PubChem CID 154912354) has the molecular formula C23H34N4O5 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide;formic acid.

Molecular Properties

Compound NameN-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide;formic acid
PubChem CID154912354
Molecular FormulaC23H34N4O5
Molecular Weight446.55 g/mol
Exact Mass446.25
IUPAC NameN-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide;formic acid
SMILESCCn1c(CCNC(=O)C2(N3CCCC3)CCCC2)nc2ccccc21.O=CO.O=CO
InChIInChI=1S/C21H30N4O.2CH2O2/c1-2-25-18-10-4-3-9-17(18)23-19(25)11-14-22-20(26)21(12-5-6-13-21)24-15-7-8-16-24;2*2-1-3/h3-4,9-10H,2,5-8,11-16H2,1H3,(H,22,26);2*1H,(H,2,3)
InChIKeyGQKAGQZZOHVQNB-UHFFFAOYSA-N
XLogP2.53
TPSA124.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide
CID 110909164
N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 77081858
1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936673
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980199
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751289
(2S)-2-ethyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 99831186
N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
CID 75489329
(2R)-2-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]propanamide
CID 119866308
(3R)-1-acetyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide
CID 95235828
4-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119866341
2-(1-ethylbenzimidazol-2-yl)-1-(1-methylcyclopentyl)ethanone
CID 115782680
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428120

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide;formic acid?
The IUPAC name of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide;formic acid (CID 154912354) is N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide;formic acid.
What is the SMILES notation for N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide;formic acid?
The canonical SMILES for N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide;formic acid is CCn1c(CCNC(=O)C2(N3CCCC3)CCCC2)nc2ccccc21.O=CO.O=CO.
What is the InChIKey of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide;formic acid?
The InChIKey is GQKAGQZZOHVQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O.2CH2O2/c1-2-25-18-10-4-3-9-17(18)23-19(25)11-14-22-20(26)21(12-5-6-13-21)24-15-7-8-16-24;2*2-1-3/h3-4,9-10H,2,5-8,11-16H2,1H3,(H,22,26);2*1H,(H,2,3).
What are the key properties of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide;formic acid?
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide;formic acid has a molecular weight of 446.55 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide;formic acid is sourced from PubChem (CID 154912354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).