(3S)-1-cyclopropyl-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide

C18H22N4O2 — CID 36809640

IUPAC(3S)-1-cyclopropyl-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
SMILESCCCn1c(NC(=O)[C@H]2CC(=O)N(C3CC3)C2)nc2ccccc21
InChIInChI=1S/C18H22N4O2/c1-2-9-21-15-6-4-3-5-14(15)19-18(21)20-17(24)12-10-16(23)22(11-12)13-7-8-13/h3-6,12-13H,2,7-11H2,1H3,(H,19,20,24)/t12-/m0/s1
InChIKeyJECVTYVKWXWVGE-LBPRGKRZSA-N
MW326.40 g/mol
LogP2.40
Rot. Bonds5

About (3S)-1-cyclopropyl-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide

(3S)-1-cyclopropyl-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 36809640) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (3S)-1-cyclopropyl-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-cyclopropyl-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID36809640
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(3S)-1-cyclopropyl-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
SMILESCCCn1c(NC(=O)[C@H]2CC(=O)N(C3CC3)C2)nc2ccccc21
InChIInChI=1S/C18H22N4O2/c1-2-9-21-15-6-4-3-5-14(15)19-18(21)20-17(24)12-10-16(23)22(11-12)13-7-8-13/h3-6,12-13H,2,7-11H2,1H3,(H,19,20,24)/t12-/m0/s1
InChIKeyJECVTYVKWXWVGE-LBPRGKRZSA-N
XLogP2.40
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-cyclopentyl-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 25346487
(3S)-1-(2-fluorophenyl)-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 25356215
(3S)-1-(2-methoxyphenyl)-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 25349789
(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 25350413
N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119265083
1-cyclopropyl-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16965049
1-ethylsulfonyl-N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 34052499
(3S)-1-cyclopentyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 31849234
tert-butyl 4-[(1-propylbenzimidazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 29322747
(3R)-N-(1-ethylbenzimidazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 35738491
1-(3-chlorophenyl)-N-(1-ethylbenzimidazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 43058942
(3R)-1-cyclopentyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 95235825

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclopropyl-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-cyclopropyl-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide (CID 36809640) is (3S)-1-cyclopropyl-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-cyclopropyl-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-cyclopropyl-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide is CCCn1c(NC(=O)[C@H]2CC(=O)N(C3CC3)C2)nc2ccccc21.
What is the InChIKey of (3S)-1-cyclopropyl-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is JECVTYVKWXWVGE-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-2-9-21-15-6-4-3-5-14(15)19-18(21)20-17(24)12-10-16(23)22(11-12)13-7-8-13/h3-6,12-13H,2,7-11H2,1H3,(H,19,20,24)/t12-/m0/s1.
What are the key properties of (3S)-1-cyclopropyl-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide?
(3S)-1-cyclopropyl-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclopropyl-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 36809640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).