benzyl 2-(6-propyl-1H-benzimidazol-2-yl)pyrrolidine-1-carboxylate

C22H25N3O2 — CID 91032110

IUPACbenzyl 2-(6-propyl-1H-benzimidazol-2-yl)pyrrolidine-1-carboxylate
SMILESCCCc1ccc2nc(C3CCCN3C(=O)OCc3ccccc3)[nH]c2c1
InChIInChI=1S/C22H25N3O2/c1-2-7-16-11-12-18-19(14-16)24-21(23-18)20-10-6-13-25(20)22(26)27-15-17-8-4-3-5-9-17/h3-5,8-9,11-12,14,20H,2,6-7,10,13,15H2,1H3,(H,23,24)
InChIKeySVMDWWSFIJMKCS-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.99
Rot. Bonds5

About benzyl 2-(6-propyl-1H-benzimidazol-2-yl)pyrrolidine-1-carboxylate

benzyl 2-(6-propyl-1H-benzimidazol-2-yl)pyrrolidine-1-carboxylate (PubChem CID 91032110) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is benzyl 2-(6-propyl-1H-benzimidazol-2-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(6-propyl-1H-benzimidazol-2-yl)pyrrolidine-1-carboxylate
PubChem CID91032110
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Namebenzyl 2-(6-propyl-1H-benzimidazol-2-yl)pyrrolidine-1-carboxylate
SMILESCCCc1ccc2nc(C3CCCN3C(=O)OCc3ccccc3)[nH]c2c1
InChIInChI=1S/C22H25N3O2/c1-2-7-16-11-12-18-19(14-16)24-21(23-18)20-10-6-13-25(20)22(26)27-15-17-8-4-3-5-9-17/h3-5,8-9,11-12,14,20H,2,6-7,10,13,15H2,1H3,(H,23,24)
InChIKeySVMDWWSFIJMKCS-UHFFFAOYSA-N
XLogP4.99
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (2S)-2-[6-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate
CID 25262213
benzyl (2R)-2-[6-(4-nitrophenyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate
CID 25262357
benzyl 2-[6-(4-cyanophenyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate
CID 68553080
benzyl (2R)-2-[6-(9H-carbazol-3-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate
CID 25262655
CID 89056405
CID 89056405
benzyl (2S)-2-[6-[2-[4-[2-[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate
CID 89491865
benzyl (2S,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[6-[2-[2-[(2S,4R)-4-[(2-methylpropan-2-yl)oxy]-1-phenylmethoxycarbonylpyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate
CID 44817148
benzyl (2S)-2-[6-[4-(cyclopropylcarbamoyl)-2-methylphenyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate
CID 25264825
benzyl (2S)-2-(6-pentyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxylate
CID 68573073
tert-butyl 2-[6-[[N-[[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]methyl]anilino]methyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate
CID 59540403
tert-butyl 2-[6-(bromomethyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate
CID 59540214
butyl 2-(6-bromo-1H-benzimidazol-2-yl)pyrrolidine-1-carboxylate
CID 89497579

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(6-propyl-1H-benzimidazol-2-yl)pyrrolidine-1-carboxylate?
The IUPAC name of benzyl 2-(6-propyl-1H-benzimidazol-2-yl)pyrrolidine-1-carboxylate (CID 91032110) is benzyl 2-(6-propyl-1H-benzimidazol-2-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-(6-propyl-1H-benzimidazol-2-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 2-(6-propyl-1H-benzimidazol-2-yl)pyrrolidine-1-carboxylate is CCCc1ccc2nc(C3CCCN3C(=O)OCc3ccccc3)[nH]c2c1.
What is the InChIKey of benzyl 2-(6-propyl-1H-benzimidazol-2-yl)pyrrolidine-1-carboxylate?
The InChIKey is SVMDWWSFIJMKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-2-7-16-11-12-18-19(14-16)24-21(23-18)20-10-6-13-25(20)22(26)27-15-17-8-4-3-5-9-17/h3-5,8-9,11-12,14,20H,2,6-7,10,13,15H2,1H3,(H,23,24).
What are the key properties of benzyl 2-(6-propyl-1H-benzimidazol-2-yl)pyrrolidine-1-carboxylate?
benzyl 2-(6-propyl-1H-benzimidazol-2-yl)pyrrolidine-1-carboxylate has a molecular weight of 363.46 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(6-propyl-1H-benzimidazol-2-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 91032110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).