2-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]-1H-benzimidazole

C17H21N5 — CID 95222460

IUPAC2-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]-1H-benzimidazole
SMILESCN1CCC[C@H]1CCn1ccnc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C17H21N5/c1-21-10-4-5-13(21)8-11-22-12-9-18-17(22)16-19-14-6-2-3-7-15(14)20-16/h2-3,6-7,9,12-13H,4-5,8,10-11H2,1H3,(H,19,20)/t13-/m0/s1
InChIKeyBNMKOKPWZDHJGC-ZDUSSCGKSA-N
MW295.39 g/mol
LogP2.91
Rot. Bonds4

About 2-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]-1H-benzimidazole

2-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]-1H-benzimidazole (PubChem CID 95222460) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]-1H-benzimidazole
PubChem CID95222460
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name2-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]-1H-benzimidazole
SMILESCN1CCC[C@H]1CCn1ccnc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C17H21N5/c1-21-10-4-5-13(21)8-11-22-12-9-18-17(22)16-19-14-6-2-3-7-15(14)20-16/h2-3,6-7,9,12-13H,4-5,8,10-11H2,1H3,(H,19,20)/t13-/m0/s1
InChIKeyBNMKOKPWZDHJGC-ZDUSSCGKSA-N
XLogP2.91
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]quinoline
CID 95209596
2-(1-methylimidazol-2-yl)-1H-benzimidazole
CID 20807349
2-[(2S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-2-yl]-1H-benzimidazole
CID 124757526
4-chloro-N,N-dimethyl-5-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]-1,3-thiazol-2-amine
CID 95206808
2-[2-(2-ethylimidazol-1-yl)ethyl]-1-methylpiperidine
CID 107914179
2-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-benzimidazole
CID 46981224
2-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]-1H-benzimidazole
CID 70752239
1-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one
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3-(1-butylimidazol-2-yl)-1H-quinoxalin-2-one
CID 134842555
2-[1-[(2R)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]-1H-benzimidazole
CID 95555080
N-(benzotriazol-2-ylmethyl)-2-(1-methylpyrrolidin-2-yl)ethanamine
CID 68668824
1-ethyl-2-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylsulfanyl]imidazole
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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]-1H-benzimidazole (CID 95222460) is 2-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]-1H-benzimidazole is CN1CCC[C@H]1CCn1ccnc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]-1H-benzimidazole?
The InChIKey is BNMKOKPWZDHJGC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N5/c1-21-10-4-5-13(21)8-11-22-12-9-18-17(22)16-19-14-6-2-3-7-15(14)20-16/h2-3,6-7,9,12-13H,4-5,8,10-11H2,1H3,(H,19,20)/t13-/m0/s1.
What are the key properties of 2-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]-1H-benzimidazole?
2-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]-1H-benzimidazole has a molecular weight of 295.39 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]-1H-benzimidazole is sourced from PubChem (CID 95222460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).