N-[2-[3-hydroxy-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrol-2-yl]-1-methylbenzimidazol-5-yl]-2-methylpropanamide

C22H27N5O3 — CID 135638545

IUPACN-[2-[3-hydroxy-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrol-2-yl]-1-methylbenzimidazol-5-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc2c(c1)nc(-c1c(O)c(C(=O)N3CCCC3)cn1C)n2C
InChIInChI=1S/C22H27N5O3/c1-13(2)21(29)23-14-7-8-17-16(11-14)24-20(26(17)4)18-19(28)15(12-25(18)3)22(30)27-9-5-6-10-27/h7-8,11-13,28H,5-6,9-10H2,1-4H3,(H,23,29)
InChIKeyPANKXUKWESGGNG-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.11
Rot. Bonds4

About N-[2-[3-hydroxy-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrol-2-yl]-1-methylbenzimidazol-5-yl]-2-methylpropanamide

N-[2-[3-hydroxy-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrol-2-yl]-1-methylbenzimidazol-5-yl]-2-methylpropanamide (PubChem CID 135638545) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[2-[3-hydroxy-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrol-2-yl]-1-methylbenzimidazol-5-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[3-hydroxy-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrol-2-yl]-1-methylbenzimidazol-5-yl]-2-methylpropanamide
PubChem CID135638545
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC NameN-[2-[3-hydroxy-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrol-2-yl]-1-methylbenzimidazol-5-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc2c(c1)nc(-c1c(O)c(C(=O)N3CCCC3)cn1C)n2C
InChIInChI=1S/C22H27N5O3/c1-13(2)21(29)23-14-7-8-17-16(11-14)24-20(26(17)4)18-19(28)15(12-25(18)3)22(30)27-9-5-6-10-27/h7-8,11-13,28H,5-6,9-10H2,1-4H3,(H,23,29)
InChIKeyPANKXUKWESGGNG-UHFFFAOYSA-N
XLogP3.11
TPSA92.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[3-hydroxy-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrol-2-yl]-1-methylbenzimidazol-5-yl]cyclopropanecarboxamide
CID 135638530
5-[5-(cyclopentanecarbonylamino)-1-methylbenzimidazol-2-yl]-4-methoxy-1-methyl-N-propan-2-ylpyrrole-3-carboxamide
CID 45490733
2-methyl-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
CID 23611152
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-methylpropanamide
CID 42747272
5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,1-dimethylpyrrole-3-carboxamide
CID 45490466
4-methoxy-N,1-dimethyl-5-[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]pyrrole-3-carboxamide
CID 45490504
2-methyl-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
CID 17236024
5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,N,1-trimethylpyrrole-3-carboxamide
CID 45490630
5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-ethoxy-1-methylpyrrole-3-carboxamide
CID 45490474
2-methyl-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]propanamide
CID 53207528
5-[5-(cyclopropanecarbonylamino)-1-methylbenzimidazol-2-yl]-1-methyl-4-propoxypyrrole-3-carboxamide
CID 45490627
2-methyl-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
CID 23611212

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-hydroxy-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrol-2-yl]-1-methylbenzimidazol-5-yl]-2-methylpropanamide?
The IUPAC name of N-[2-[3-hydroxy-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrol-2-yl]-1-methylbenzimidazol-5-yl]-2-methylpropanamide (CID 135638545) is N-[2-[3-hydroxy-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrol-2-yl]-1-methylbenzimidazol-5-yl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[3-hydroxy-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrol-2-yl]-1-methylbenzimidazol-5-yl]-2-methylpropanamide?
The canonical SMILES for N-[2-[3-hydroxy-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrol-2-yl]-1-methylbenzimidazol-5-yl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc2c(c1)nc(-c1c(O)c(C(=O)N3CCCC3)cn1C)n2C.
What is the InChIKey of N-[2-[3-hydroxy-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrol-2-yl]-1-methylbenzimidazol-5-yl]-2-methylpropanamide?
The InChIKey is PANKXUKWESGGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-13(2)21(29)23-14-7-8-17-16(11-14)24-20(26(17)4)18-19(28)15(12-25(18)3)22(30)27-9-5-6-10-27/h7-8,11-13,28H,5-6,9-10H2,1-4H3,(H,23,29).
What are the key properties of N-[2-[3-hydroxy-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrol-2-yl]-1-methylbenzimidazol-5-yl]-2-methylpropanamide?
N-[2-[3-hydroxy-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrol-2-yl]-1-methylbenzimidazol-5-yl]-2-methylpropanamide has a molecular weight of 409.49 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-hydroxy-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrol-2-yl]-1-methylbenzimidazol-5-yl]-2-methylpropanamide is sourced from PubChem (CID 135638545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).