(2S)-1-(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)pyrrolidine-2-carboxamide

C18H23N5O3 — CID 72935230

IUPAC(2S)-1-(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)pyrrolidine-2-carboxamide
SMILESCn1c(N2CCOCC2)nc2cc(C(=O)N3CCC[C@H]3C(N)=O)ccc21
InChIInChI=1S/C18H23N5O3/c1-21-14-5-4-12(17(25)23-6-2-3-15(23)16(19)24)11-13(14)20-18(21)22-7-9-26-10-8-22/h4-5,11,15H,2-3,6-10H2,1H3,(H2,19,24)/t15-/m0/s1
InChIKeyWAUREABXOORAJE-HNNXBMFYSA-N
MW357.41 g/mol
LogP0.50
Rot. Bonds3

About (2S)-1-(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)pyrrolidine-2-carboxamide

(2S)-1-(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 72935230) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is (2S)-1-(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)pyrrolidine-2-carboxamide
PubChem CID72935230
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name(2S)-1-(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)pyrrolidine-2-carboxamide
SMILESCn1c(N2CCOCC2)nc2cc(C(=O)N3CCC[C@H]3C(N)=O)ccc21
InChIInChI=1S/C18H23N5O3/c1-21-14-5-4-12(17(25)23-6-2-3-15(23)16(19)24)11-13(14)20-18(21)22-7-9-26-10-8-22/h4-5,11,15H,2-3,6-10H2,1H3,(H2,19,24)/t15-/m0/s1
InChIKeyWAUREABXOORAJE-HNNXBMFYSA-N
XLogP0.50
TPSA93.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)azetidine-2-carboxylic acid
CID 97275213
(1-methyl-2-morpholin-4-ylbenzimidazol-5-yl)-thiomorpholin-4-ylmethanone
CID 72940609
[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(1-methyl-2-morpholin-4-ylbenzimidazol-5-yl)methanone
CID 72858986
[(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-(1-methyl-2-morpholin-4-ylbenzimidazol-5-yl)methanone
CID 97209841
1-methyl-2-morpholin-4-yl-N-[(3R)-thiolan-3-yl]benzimidazole-5-carboxamide
CID 97196556
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 72873356
(2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 110867482
N-[(4-hydroxyphenyl)methyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 72912171
1-(3-bromo-4-methylbenzoyl)pyrrolidine-2-carboxamide
CID 79458993
1-(4-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 43212216
1-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 124749549
1-(1H-indole-5-carbonyl)pyrrolidine-2-carboxamide
CID 63723246

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)pyrrolidine-2-carboxamide (CID 72935230) is (2S)-1-(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)pyrrolidine-2-carboxamide is Cn1c(N2CCOCC2)nc2cc(C(=O)N3CCC[C@H]3C(N)=O)ccc21.
What is the InChIKey of (2S)-1-(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is WAUREABXOORAJE-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-21-14-5-4-12(17(25)23-6-2-3-15(23)16(19)24)11-13(14)20-18(21)22-7-9-26-10-8-22/h4-5,11,15H,2-3,6-10H2,1H3,(H2,19,24)/t15-/m0/s1.
What are the key properties of (2S)-1-(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)pyrrolidine-2-carboxamide?
(2S)-1-(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 72935230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).