(2R)-1-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidine-1,2-dicarboxamide

C16H21N5O2 — CID 94516578

IUPAC(2R)-1-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidine-1,2-dicarboxamide
SMILESCc1nc2ccccc2n1CCNC(=O)N1CCC[C@@H]1C(N)=O
InChIInChI=1S/C16H21N5O2/c1-11-19-12-5-2-3-6-13(12)20(11)10-8-18-16(23)21-9-4-7-14(21)15(17)22/h2-3,5-6,14H,4,7-10H2,1H3,(H2,17,22)(H,18,23)/t14-/m1/s1
InChIKeyBTEHZYAFAUYQPG-CQSZACIVSA-N
MW315.38 g/mol
LogP1.00
Rot. Bonds4

About (2R)-1-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidine-1,2-dicarboxamide

(2R)-1-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 94516578) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is (2R)-1-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-1-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidine-1,2-dicarboxamide
PubChem CID94516578
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name(2R)-1-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidine-1,2-dicarboxamide
SMILESCc1nc2ccccc2n1CCNC(=O)N1CCC[C@@H]1C(N)=O
InChIInChI=1S/C16H21N5O2/c1-11-19-12-5-2-3-6-13(12)20(11)10-8-18-16(23)21-9-4-7-14(21)15(17)22/h2-3,5-6,14H,4,7-10H2,1H3,(H2,17,22)(H,18,23)/t14-/m1/s1
InChIKeyBTEHZYAFAUYQPG-CQSZACIVSA-N
XLogP1.00
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-amino-2-oxoethyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboxamide
CID 56814187
3-cyclopentyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 18086784
2-(cyclopropylmethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 61273474
(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
(2S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-2-carboxamide
CID 103813344
3-(cyclopropylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 61276333
N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 24554300
3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119835377
1-(aminomethyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119835380
2-(cyclopropylmethoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 51080822
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 18120735
N-[2-(2-methylbenzimidazol-1-yl)ethyl]imidazole-1-carboxamide
CID 81257871

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-1-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidine-1,2-dicarboxamide (CID 94516578) is (2R)-1-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-1-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-1-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidine-1,2-dicarboxamide is Cc1nc2ccccc2n1CCNC(=O)N1CCC[C@@H]1C(N)=O.
What is the InChIKey of (2R)-1-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is BTEHZYAFAUYQPG-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-11-19-12-5-2-3-6-13(12)20(11)10-8-18-16(23)21-9-4-7-14(21)15(17)22/h2-3,5-6,14H,4,7-10H2,1H3,(H2,17,22)(H,18,23)/t14-/m1/s1.
What are the key properties of (2R)-1-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidine-1,2-dicarboxamide?
(2R)-1-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 94516578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).