N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide

C17H24N4O — CID 119890737

IUPACN-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CCNC1)c1nc2ccccc2n1C(C)C
InChIInChI=1S/C17H24N4O/c1-11(2)21-15-7-5-4-6-14(15)20-16(21)12(3)19-17(22)13-8-9-18-10-13/h4-7,11-13,18H,8-10H2,1-3H3,(H,19,22)
InChIKeyDFJCEULYJDNIQE-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.40
Rot. Bonds4

About N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide

N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 119890737) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID119890737
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CCNC1)c1nc2ccccc2n1C(C)C
InChIInChI=1S/C17H24N4O/c1-11(2)21-15-7-5-4-6-14(15)20-16(21)12(3)19-17(22)13-8-9-18-10-13/h4-7,11-13,18H,8-10H2,1-3H3,(H,19,22)
InChIKeyDFJCEULYJDNIQE-UHFFFAOYSA-N
XLogP2.40
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide
CID 119889969
N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119669719
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119836866
N-[1-(4-phenylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119685570
(2R,3S)-2-ethyl-1-methyl-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 125421685
4-(methoxymethyl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]piperidine-4-carboxamide
CID 120647168
N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide
CID 751172
N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide
CID 4592510
5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]thiophene-2-carboxylic acid
CID 119186029
N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119942310
5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685706
(2S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119890016

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide (CID 119890737) is N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide is CC(NC(=O)C1CCNC1)c1nc2ccccc2n1C(C)C.
What is the InChIKey of N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is DFJCEULYJDNIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-11(2)21-15-7-5-4-6-14(15)20-16(21)12(3)19-17(22)13-8-9-18-10-13/h4-7,11-13,18H,8-10H2,1-3H3,(H,19,22).
What are the key properties of N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide?
N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119890737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).