2-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-1H-benzimidazole

C19H21N3O — CID 133409910

IUPAC2-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-1H-benzimidazole
SMILESCOc1ccccc1CC1CCCN1c1nc2ccccc2[nH]1
InChIInChI=1S/C19H21N3O/c1-23-18-11-5-2-7-14(18)13-15-8-6-12-22(15)19-20-16-9-3-4-10-17(16)21-19/h2-5,7,9-11,15H,6,8,12-13H2,1H3,(H,20,21)
InChIKeyDQOSVXVHQUDQAB-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.78
Rot. Bonds4

About 2-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-1H-benzimidazole

2-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-1H-benzimidazole (PubChem CID 133409910) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-1H-benzimidazole
PubChem CID133409910
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-1H-benzimidazole
SMILESCOc1ccccc1CC1CCCN1c1nc2ccccc2[nH]1
InChIInChI=1S/C19H21N3O/c1-23-18-11-5-2-7-14(18)13-15-8-6-12-22(15)19-20-16-9-3-4-10-17(16)21-19/h2-5,7,9-11,15H,6,8,12-13H2,1H3,(H,20,21)
InChIKeyDQOSVXVHQUDQAB-UHFFFAOYSA-N
XLogP3.78
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1H-benzimidazol-2-yl)pyrrolidin-2-yl]methanamine
CID 62593155
2-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one
CID 140535229
6-[2-[(2-methoxyphenyl)methyl]piperidin-1-yl]-4-N-methylpyrimidine-2,4-diamine
CID 122456389
4-imidazol-1-yl-6-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]pyrimidine
CID 75373069
tert-butyl (2S)-2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxylate
CID 50905252
2-[4-(methoxymethyl)piperidin-1-yl]-1H-benzimidazole
CID 133410263
2-[(2-methoxyphenyl)methyl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 136579692
[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 94816958
(3R)-N-[(2-methoxyphenyl)methyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide
CID 92876862
2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 752044
2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole
CID 94217972
2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole
CID 51278456

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-1H-benzimidazole?
The IUPAC name of 2-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-1H-benzimidazole (CID 133409910) is 2-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-1H-benzimidazole?
The canonical SMILES for 2-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-1H-benzimidazole is COc1ccccc1CC1CCCN1c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-1H-benzimidazole?
The InChIKey is DQOSVXVHQUDQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-23-18-11-5-2-7-14(18)13-15-8-6-12-22(15)19-20-16-9-3-4-10-17(16)21-19/h2-5,7,9-11,15H,6,8,12-13H2,1H3,(H,20,21).
What are the key properties of 2-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-1H-benzimidazole?
2-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-1H-benzimidazole has a molecular weight of 307.40 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-1H-benzimidazole is sourced from PubChem (CID 133409910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).