(2S)-1-N-propan-2-yl-2-N-(1-propylbenzimidazol-2-yl)pyrrolidine-1,2-dicarboxamide

C19H27N5O2 — CID 136580553

IUPAC(2S)-1-N-propan-2-yl-2-N-(1-propylbenzimidazol-2-yl)pyrrolidine-1,2-dicarboxamide
SMILESCCCn1c(NC(=O)[C@@H]2CCCN2C(=O)NC(C)C)nc2ccccc21
InChIInChI=1S/C19H27N5O2/c1-4-11-23-15-9-6-5-8-14(15)21-18(23)22-17(25)16-10-7-12-24(16)19(26)20-13(2)3/h5-6,8-9,13,16H,4,7,10-12H2,1-3H3,(H,20,26)(H,21,22,25)/t16-/m0/s1
InChIKeyZZLDUHJVLLLSSG-INIZCTEOSA-N
MW357.46 g/mol
LogP2.97
Rot. Bonds5

About (2S)-1-N-propan-2-yl-2-N-(1-propylbenzimidazol-2-yl)pyrrolidine-1,2-dicarboxamide

(2S)-1-N-propan-2-yl-2-N-(1-propylbenzimidazol-2-yl)pyrrolidine-1,2-dicarboxamide (PubChem CID 136580553) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is (2S)-1-N-propan-2-yl-2-N-(1-propylbenzimidazol-2-yl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-1-N-propan-2-yl-2-N-(1-propylbenzimidazol-2-yl)pyrrolidine-1,2-dicarboxamide
PubChem CID136580553
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name(2S)-1-N-propan-2-yl-2-N-(1-propylbenzimidazol-2-yl)pyrrolidine-1,2-dicarboxamide
SMILESCCCn1c(NC(=O)[C@@H]2CCCN2C(=O)NC(C)C)nc2ccccc21
InChIInChI=1S/C19H27N5O2/c1-4-11-23-15-9-6-5-8-14(15)21-18(23)22-17(25)16-10-7-12-24(16)19(26)20-13(2)3/h5-6,8-9,13,16H,4,7,10-12H2,1-3H3,(H,20,26)(H,21,22,25)/t16-/m0/s1
InChIKeyZZLDUHJVLLLSSG-INIZCTEOSA-N
XLogP2.97
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(2-fluorophenyl)sulfonyl-N-(1-propylbenzimidazol-2-yl)pyrrolidine-2-carboxamide
CID 41015418
1-ethylsulfonyl-N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 34052499
N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119265083
2-[(1-propylbenzimidazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119179377
2-amino-3-methyl-N-(1-propylbenzimidazol-2-yl)butanamide
CID 119265100
tert-butyl 4-[(1-propylbenzimidazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 29322747
N-(1-propylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119265093
(3R)-1-cyclopentyl-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 25346487
(3S)-1-cyclopropyl-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 36809640
(3S)-1-oxo-N-(1-propylbenzimidazol-2-yl)-3,4-dihydroisochromene-3-carboxamide
CID 25324880
(2E,4E)-N-(1-propylbenzimidazol-2-yl)hexa-2,4-dienamide
CID 38011370
(2S)-2-N-[(2R)-butan-2-yl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1432975

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-propan-2-yl-2-N-(1-propylbenzimidazol-2-yl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-1-N-propan-2-yl-2-N-(1-propylbenzimidazol-2-yl)pyrrolidine-1,2-dicarboxamide (CID 136580553) is (2S)-1-N-propan-2-yl-2-N-(1-propylbenzimidazol-2-yl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-1-N-propan-2-yl-2-N-(1-propylbenzimidazol-2-yl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-1-N-propan-2-yl-2-N-(1-propylbenzimidazol-2-yl)pyrrolidine-1,2-dicarboxamide is CCCn1c(NC(=O)[C@@H]2CCCN2C(=O)NC(C)C)nc2ccccc21.
What is the InChIKey of (2S)-1-N-propan-2-yl-2-N-(1-propylbenzimidazol-2-yl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is ZZLDUHJVLLLSSG-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-4-11-23-15-9-6-5-8-14(15)21-18(23)22-17(25)16-10-7-12-24(16)19(26)20-13(2)3/h5-6,8-9,13,16H,4,7,10-12H2,1-3H3,(H,20,26)(H,21,22,25)/t16-/m0/s1.
What are the key properties of (2S)-1-N-propan-2-yl-2-N-(1-propylbenzimidazol-2-yl)pyrrolidine-1,2-dicarboxamide?
(2S)-1-N-propan-2-yl-2-N-(1-propylbenzimidazol-2-yl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 357.46 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-propan-2-yl-2-N-(1-propylbenzimidazol-2-yl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 136580553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).