N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-1H-benzimidazol-2-amine

C19H22N4O — CID 133409978

IUPACN-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-1H-benzimidazol-2-amine
SMILESCOc1ccccc1N1CCC(CNc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C19H22N4O/c1-24-18-9-5-4-8-17(18)23-11-10-14(13-23)12-20-19-21-15-6-2-3-7-16(15)22-19/h2-9,14H,10-13H2,1H3,(H2,20,21,22)
InChIKeyZYEPTCSHDGQHFX-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.51
Rot. Bonds5

About N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-1H-benzimidazol-2-amine

N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-1H-benzimidazol-2-amine (PubChem CID 133409978) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-1H-benzimidazol-2-amine
PubChem CID133409978
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-1H-benzimidazol-2-amine
SMILESCOc1ccccc1N1CCC(CNc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C19H22N4O/c1-24-18-9-5-4-8-17(18)23-11-10-14(13-23)12-20-19-21-15-6-2-3-7-16(15)22-19/h2-9,14H,10-13H2,1H3,(H2,20,21,22)
InChIKeyZYEPTCSHDGQHFX-UHFFFAOYSA-N
XLogP3.51
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-benzimidazol-2-amine
CID 133410029
N-(cyclohexylmethyl)-1H-benzimidazol-2-amine
CID 18685672
2-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methylamino]pyridine-4-carbonitrile
CID 125142212
2-(difluoromethylsulfonyl)-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]aniline
CID 133300539
2-[4-[(1H-benzimidazol-2-ylamino)methyl]piperidin-1-yl]-N-tert-butylacetamide
CID 133410842
2-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 119870921
1-(4-fluorophenyl)-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide
CID 52511571
2-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-phenylpropanamide;dihydrochloride
CID 120596259
1-[(4-fluorophenyl)methyl]-3-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylguanidine;hydroiodide
CID 111231018
cis-(1R,3S)-3-amino-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide
CID 125135335
2-[4-(methoxymethyl)piperidin-1-yl]-1H-benzimidazole
CID 133410263
(E)-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine
CID 119108419

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-1H-benzimidazol-2-amine (CID 133409978) is N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-1H-benzimidazol-2-amine is COc1ccccc1N1CCC(CNc2nc3ccccc3[nH]2)C1.
What is the InChIKey of N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-1H-benzimidazol-2-amine?
The InChIKey is ZYEPTCSHDGQHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-24-18-9-5-4-8-17(18)23-11-10-14(13-23)12-20-19-21-15-6-2-3-7-16(15)22-19/h2-9,14H,10-13H2,1H3,(H2,20,21,22).
What are the key properties of N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-1H-benzimidazol-2-amine?
N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-1H-benzimidazol-2-amine has a molecular weight of 322.41 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 133409978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).