2-propan-2-yl-6-(pyrrolidin-2-ylmethyl)-1H-benzimidazole

C15H21N3 — CID 82497430

IUPAC2-propan-2-yl-6-(pyrrolidin-2-ylmethyl)-1H-benzimidazole
SMILESCC(C)c1nc2ccc(CC3CCCN3)cc2[nH]1
InChIInChI=1S/C15H21N3/c1-10(2)15-17-13-6-5-11(9-14(13)18-15)8-12-4-3-7-16-12/h5-6,9-10,12,16H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyNOEUQCGQYUCSDD-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.98
Rot. Bonds3

About 2-propan-2-yl-6-(pyrrolidin-2-ylmethyl)-1H-benzimidazole

2-propan-2-yl-6-(pyrrolidin-2-ylmethyl)-1H-benzimidazole (PubChem CID 82497430) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-propan-2-yl-6-(pyrrolidin-2-ylmethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-propan-2-yl-6-(pyrrolidin-2-ylmethyl)-1H-benzimidazole
PubChem CID82497430
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-propan-2-yl-6-(pyrrolidin-2-ylmethyl)-1H-benzimidazole
SMILESCC(C)c1nc2ccc(CC3CCCN3)cc2[nH]1
InChIInChI=1S/C15H21N3/c1-10(2)15-17-13-6-5-11(9-14(13)18-15)8-12-4-3-7-16-12/h5-6,9-10,12,16H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyNOEUQCGQYUCSDD-UHFFFAOYSA-N
XLogP2.98
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-6-(piperidin-2-ylmethyl)-1H-benzimidazole
CID 117431689
6-methyl-2-(pyrrolidin-2-ylmethyl)-1H-benzimidazole
CID 61371342
N-methyl-1-(2-propan-2-yl-3H-benzimidazol-5-yl)methanamine
CID 82491783
2-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 14921538
6-(pyrrolidin-2-ylmethyl)-1H-indole
CID 10198107
2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol
CID 82491889
N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]cyclopropanecarboxamide
CID 110791569
O-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]hydroxylamine
CID 117293706
2-methyl-6-(2-piperidin-2-ylethyl)-1H-benzimidazole
CID 116925567
[2-(1-cyclopropylethyl)-3H-benzimidazol-5-yl]methanamine
CID 83151812
2-methyl-6-(piperidin-2-ylmethyl)-1,3-benzoxazole
CID 82495132
1-propan-2-yl-5-(pyrrolidin-2-ylmethyl)benzimidazole
CID 82497436

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6-(pyrrolidin-2-ylmethyl)-1H-benzimidazole?
The IUPAC name of 2-propan-2-yl-6-(pyrrolidin-2-ylmethyl)-1H-benzimidazole (CID 82497430) is 2-propan-2-yl-6-(pyrrolidin-2-ylmethyl)-1H-benzimidazole.
What is the SMILES notation for 2-propan-2-yl-6-(pyrrolidin-2-ylmethyl)-1H-benzimidazole?
The canonical SMILES for 2-propan-2-yl-6-(pyrrolidin-2-ylmethyl)-1H-benzimidazole is CC(C)c1nc2ccc(CC3CCCN3)cc2[nH]1.
What is the InChIKey of 2-propan-2-yl-6-(pyrrolidin-2-ylmethyl)-1H-benzimidazole?
The InChIKey is NOEUQCGQYUCSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-10(2)15-17-13-6-5-11(9-14(13)18-15)8-12-4-3-7-16-12/h5-6,9-10,12,16H,3-4,7-8H2,1-2H3,(H,17,18).
What are the key properties of 2-propan-2-yl-6-(pyrrolidin-2-ylmethyl)-1H-benzimidazole?
2-propan-2-yl-6-(pyrrolidin-2-ylmethyl)-1H-benzimidazole has a molecular weight of 243.35 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6-(pyrrolidin-2-ylmethyl)-1H-benzimidazole is sourced from PubChem (CID 82497430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).