2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole

C19H21N3 — CID 75615115

IUPAC2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
SMILESCc1ccccc1CN1CCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C19H21N3/c1-14-6-2-3-7-15(14)12-22-11-10-16(13-22)19-20-17-8-4-5-9-18(17)21-19/h2-9,16H,10-13H2,1H3,(H,20,21)
InChIKeyMPFBGHNPXABGSM-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.86
Rot. Bonds3

About 2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole

2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole (PubChem CID 75615115) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
PubChem CID75615115
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
SMILESCc1ccccc1CN1CCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C19H21N3/c1-14-6-2-3-7-15(14)12-22-11-10-16(13-22)19-20-17-8-4-5-9-18(17)21-19/h2-9,16H,10-13H2,1H3,(H,20,21)
InChIKeyMPFBGHNPXABGSM-UHFFFAOYSA-N
XLogP3.86
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 75131931
2-[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 51137111
2-(1-butylpiperidin-4-yl)-1H-benzimidazole
CID 150629700
2-[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole
CID 43981509
4-[[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-oxazole
CID 70723239
2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-benzimidazole
CID 16798070
3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-ol
CID 111112410
2-(1-propylazetidin-3-yl)-1H-benzimidazole
CID 141153066
2-[1-(2-phenylpropyl)piperidin-4-yl]-1H-benzimidazole
CID 10087324
2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 56787398
2-[1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole
CID 24731793
2-[1-(oxan-2-ylmethyl)piperidin-3-yl]-1H-benzimidazole
CID 56852354

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole (CID 75615115) is 2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole is Cc1ccccc1CN1CCC(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of 2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole?
The InChIKey is MPFBGHNPXABGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-14-6-2-3-7-15(14)12-22-11-10-16(13-22)19-20-17-8-4-5-9-18(17)21-19/h2-9,16H,10-13H2,1H3,(H,20,21).
What are the key properties of 2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole?
2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole has a molecular weight of 291.40 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole is sourced from PubChem (CID 75615115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).