N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride

C17H26Cl2N4O — CID 119888858

IUPACN-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCC(C)n1c(CCNC(=O)C2CCCN2)nc2ccccc21.Cl.Cl
InChIInChI=1S/C17H24N4O.2ClH/c1-12(2)21-15-8-4-3-6-13(15)20-16(21)9-11-19-17(22)14-7-5-10-18-14;;/h3-4,6,8,12,14,18H,5,7,9-11H2,1-2H3,(H,19,22);2*1H
InChIKeySJZFFQCHJLZVJG-UHFFFAOYSA-N
MW373.33 g/mol
LogP2.87
Rot. Bonds5

About N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride

N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119888858) has the molecular formula C17H26Cl2N4O and a molecular weight of 373.33 g/mol. Its IUPAC name is N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119888858
Molecular FormulaC17H26Cl2N4O
Molecular Weight373.33 g/mol
Exact Mass372.15
IUPAC NameN-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCC(C)n1c(CCNC(=O)C2CCCN2)nc2ccccc21.Cl.Cl
InChIInChI=1S/C17H24N4O.2ClH/c1-12(2)21-15-8-4-3-6-13(15)20-16(21)9-11-19-17(22)14-7-5-10-18-14;;/h3-4,6,8,12,14,18H,5,7,9-11H2,1-2H3,(H,19,22);2*1H
InChIKeySJZFFQCHJLZVJG-UHFFFAOYSA-N
XLogP2.87
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-piperidin-3-yl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119888838
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CID 119888825
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide
CID 119888867
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942258
(2S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-2-carboxamide
CID 103813344
(2R)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119883529
1-piperidin-4-yl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]triazole-4-carboxamide;dihydrochloride
CID 119888822
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110741853
(2S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119890016
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 60834225
(3S)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-3-pyrrol-1-ylbutanamide
CID 95773068
(2R)-N-[3-(benzimidazol-1-yl)propyl]pyrrolidine-2-carboxamide
CID 103813325

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride (CID 119888858) is N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride is CC(C)n1c(CCNC(=O)C2CCCN2)nc2ccccc21.Cl.Cl.
What is the InChIKey of N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is SJZFFQCHJLZVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O.2ClH/c1-12(2)21-15-8-4-3-6-13(15)20-16(21)9-11-19-17(22)14-7-5-10-18-14;;/h3-4,6,8,12,14,18H,5,7,9-11H2,1-2H3,(H,19,22);2*1H.
What are the key properties of N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride?
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 373.33 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119888858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).